 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer00_STD_wB97XD_augccpVDZ.in
 Output=31_naproxen_conformer00_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/31_naproxen/Gau-227819.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/31_naproxen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    227821.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer00_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer00_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 3.352380000000      0.081536000000     -0.094047000000
  C                                                 2.853162000000     -1.229651000000      0.086888000000
  C                                                 2.486454000000      1.151296000000     -0.114829000000
  C                                                 1.100546000000      0.960772000000      0.042252000000
  C                                                 0.590185000000     -0.359596000000      0.227036000000
  C                                                 1.505764000000     -1.433604000000      0.242412000000
  C                                                 0.178320000000      2.035716000000      0.022349000000
  C                                                -1.162617000000      1.813105000000      0.178068000000
  C                                                -1.675581000000      0.507253000000      0.370446000000
  C                                                -0.800954000000     -0.550815000000      0.386518000000
  C                                                -3.175000000000      0.316508000000      0.539158000000
  O                                                 4.675062000000      0.363691000000     -0.254438000000
  C                                                 5.607556000000     -0.703149000000     -0.244694000000
  H                                                 3.524663000000     -2.074808000000      0.103947000000
  H                                                 2.886450000000      2.147038000000     -0.255665000000
  H                                                 1.129072000000     -2.439742000000      0.380890000000
  H                                                 0.550726000000      3.042648000000     -0.120102000000
  H                                                -1.852677000000      2.647425000000      0.153954000000
  H                                                -1.168601000000     -1.561255000000      0.512106000000
  H                                                -3.627638000000      1.305010000000      0.609167000000
  C                                                -3.546747000000     -0.494005000000      1.785225000000
  C                                                -3.751553000000     -0.273210000000     -0.735630000000
  H                                                 6.583819000000     -0.246740000000     -0.388953000000
  H                                                 5.417122000000     -1.410440000000     -1.057092000000
  H                                                 5.597238000000     -1.237035000000      0.709988000000
  H                                                -3.163624000000      0.008881000000      2.673322000000
  H                                                -3.125429000000     -1.496647000000      1.749497000000
  H                                                -4.629967000000     -0.586055000000      1.879701000000
  O                                                -4.295658000000      0.357517000000     -1.603525000000
  O                                                -3.574263000000     -1.613892000000     -0.819614000000
  H                                                -3.933780000000     -1.889738000000     -1.677049000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          16          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1           1           1           1          16          16
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146
 NucSpn=           0           0           1           1           1           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.414626   0.000000
     3  C    1.376461   2.417452   0.000000
     4  C    2.421237   2.805639   1.407734   0.000000
     5  C    2.815566   2.428518   2.448572   1.427580   0.000000
     6  C    2.412228   1.371592   2.787666   2.436658   1.411387
     7  C    3.729212   4.221560   2.475581   1.416475   2.439067
     8  C    4.843302   5.039163   3.720148   2.422153   2.792014
     9  C    5.067285   4.858678   4.239436   2.832008   2.430162
    10  C    4.228592   3.728694   3.735717   2.453389   1.413247
    11  C    6.562229   6.239703   5.759916   4.352274   3.838119
    12  O    1.361919   2.444292   2.330197   3.636165   4.176264
    13  C    2.392539   2.823798   3.632783   4.812911   5.051195
    14  H    2.172257   1.079581   3.396099   3.885215   3.401215
    15  H    2.123561   3.394183   1.082282   2.164586   3.433518
    16  H    3.394924   2.126792   3.870888   3.417453   2.154316
    17  H    4.076534   4.857633   2.706341   2.159368   3.420135
    18  H    5.808434   6.097634   4.597685   3.402764   3.874931
    19  H    4.848242   4.057752   4.594606   3.424969   2.149088
    20  H    7.121239   6.978399   6.158727   4.774476   4.550491
    21  C    7.173623   6.662159   6.535804   5.172201   4.422694
    22  C    7.141662   6.724104   6.428635   5.066624   4.448019
    23  H    3.261431   3.887202   4.337977   5.631190   6.026261
    24  H    2.723345   2.813408   4.004893   5.046190   5.104173
    25  H    2.724792   2.813941   4.007671   5.049403   5.106243
    26  H    7.079683   6.665232   6.403302   5.100174   4.495684
    27  H    6.917465   6.211208   6.479239   5.178075   4.173315
    28  H    8.249801   7.721762   7.592100   6.213507   5.480198
    29  O    7.800460   7.515466   6.988801   5.673757   5.266561
    30  O    7.167936   6.502398   6.698901   5.406066   4.473406
    31  H    7.712324   7.043420   7.273776   6.035382   5.141316
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721118   0.000000
     8  C    4.203037   1.368180   0.000000
     9  C    3.728844   2.427822   1.416118   0.000000
    10  C    2.474072   2.789577   2.400494   1.372858   0.000000
    11  C    5.006047   3.803620   2.533747   1.520889   2.532122
    12  O    3.677170   4.805514   6.030453   6.382927   5.588729
    13  C    4.194703   6.086813   7.235019   7.408614   6.441322
    14  H    2.122797   5.301045   6.090317   5.812108   4.594928
    15  H    3.869803   2.724638   4.085900   4.888050   4.613866
    16  H    1.083230   4.589358   4.835254   4.068288   2.700570
    17  H    4.591334   1.083001   2.129842   3.409591   3.872555
    18  H    5.285996   2.125196   1.082984   2.158372   3.374751
    19  H    2.690959   3.871984   3.390859   2.134437   1.082555
    20  H    5.829780   3.919643   2.553495   2.122247   3.388776
    21  C    5.365723   4.835633   3.686433   2.550565   3.082043
    22  C    5.471971   4.620560   3.448209   2.478343   3.168961
    23  H    5.252991   6.812429   8.035655   8.328438   7.431601
    24  H    4.121646   6.362879   7.430332   7.484774   6.441074
    25  H    4.122793   6.367764   7.435182   7.486770   6.443011
    26  H    5.458321   4.722744   3.672267   2.786734   3.335407
    27  H    4.870650   5.135697   4.156498   2.831864   2.855783
    28  H    6.406735   5.782998   4.546871   3.493075   4.110009
    29  O    6.346030   5.047405   3.886998   3.283868   4.122899
    30  O    5.192983   5.301926   4.307634   3.085529   3.205640
    31  H    5.786279   5.933507   4.983157   3.877791   3.983167
                   11         12         13         14         15
    11  C    0.000000
    12  O    7.890215   0.000000
    13  C    8.876227   1.416964   0.000000
    14  H    7.126941   2.719951   2.518222   0.000000
    15  H    6.381517   2.525759   3.940572   4.284929   0.000000
    16  H    5.113414   4.564748   4.843958   2.439002   4.952992
    17  H    4.663421   4.919858   6.294287   5.923078   2.505215
    18  H    2.707415   6.927741   8.187817   7.156659   4.783043
    19  H    2.748156   6.200113   6.872074   4.738888   5.548364
    20  H    1.089458   8.400400   9.489499   7.926779   6.624975
    21  C    1.532257   8.514341   9.378997   7.438446   7.247507
    22  C    1.518310   8.464339   9.381833   7.542809   7.081741
    23  H    9.819022   2.008500   1.087294   3.597668   4.406640
    24  H    8.908138   2.083854   1.093854   2.317498   4.438720
    25  H    8.910378   2.083951   1.093873   2.316186   4.442162
    26  H    2.156251   8.375122   9.271214   7.461677   7.053657
    27  H    2.180575   8.265850   8.992856   6.875015   7.310253
    28  H    2.174535   9.593755  10.456273   8.477481   8.278050
    29  O    2.418398   9.071598  10.052118   8.365948   7.523416
    30  O    2.394184   8.501860   9.244771   7.173574   7.496896
    31  H    3.217894   9.011877   9.720943   7.670370   8.051797
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.535529   0.000000
    18  H    5.900983   2.451052   0.000000
    19  H    2.463383   4.954967   4.278927   0.000000
    20  H    6.058182   4.583661   2.271516   3.777798   0.000000
    21  C    5.255600   5.738246   3.924220   2.900937   2.150840
    22  C    5.455362   5.466571   3.595441   3.144447   2.077164
    23  H    5.929265   6.876814   8.935626   7.914536  10.376802
    24  H    4.638386   6.662564   8.413256   6.771770   9.589461
    25  H    4.638892   6.668734   8.420180   6.776493   9.569247
    26  H    5.447774   5.550077   3.876559   3.334111   2.481128
    27  H    4.567635   6.133084   4.619414   2.316136   3.066243
    28  H    6.232906   6.633723   4.598580   3.847387   2.488985
    29  O    6.417964   5.735670   3.781609   4.235099   2.497999
    30  O    4.923880   6.260049   4.697927   2.750174   3.250270
    31  H    5.492730   6.845678   5.316899   3.542106   3.940421
                   21         22         23         24         25
    21  C    0.000000
    22  C    2.538780   0.000000
    23  H   10.364196  10.341218   0.000000
    24  H    9.448257   9.244524   1.778142   0.000000
    25  H    9.236920   9.508873   1.778116   1.784680   0.000000
    26  H    1.090135   3.470762  10.220348   9.463597   9.064198
    27  H    1.088153   2.839839  10.020216   8.992194   8.788225
    28  H    1.091222   2.776588  11.446000  10.499922  10.314443
    29  O    3.573455   1.202958  10.963728   9.887485  10.284179
    30  O    2.835505   1.354959  10.258714   8.996821   9.305812
    31  H    3.753026   1.879532  10.722804   9.383680   9.847044
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766784   0.000000
    28  H    1.770295   1.763453   0.000000
    29  O    4.437845   4.006260   3.624218   0.000000
    30  O    3.873321   2.610657   3.075266   2.240844   0.000000
    31  H    4.808703   3.542481   3.851589   2.277392   0.969814
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2770957           0.2099576           0.1981845
 Leave Link  202 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     23     24     25
 Centers:      26     27     28     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     13     21     22
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      12     29     30
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1132.7082601997 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0204050915 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1132.6878551081 Hartrees.
 Leave Link  301 at Thu Sep 23 13:03:28 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.11D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.80D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Sep 23 13:03:29 2021, MaxMem=  5368709120 cpu:               5.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Sep 23 13:03:29 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer00_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Sep 23 13:03:30 2021, MaxMem=  5368709120 cpu:               6.7 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.450583768228    
 DIIS: error= 1.81D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.450583768228     IErMin= 1 ErrMin= 1.81D-03
 ErrMax= 1.81D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.37D-03 BMatP= 9.37D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.81D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.292 Goal=   None    Shift=    0.000
 GapD=    0.292 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.93D-02 MaxDP=5.69D+00              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.54D-02    CP:  1.24D+00
 E= -767.457917656472     Delta-E=       -0.007333888244 Rises=F Damp=F
 DIIS: error= 3.06D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.457917656472     IErMin= 2 ErrMin= 3.06D-04
 ErrMax= 3.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-04 BMatP= 9.37D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.06D-03
 Coeff-Com: -0.285D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.285D-01 0.103D+01
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=8.78D-03 MaxDP=8.38D-01 DE=-7.33D-03 OVMax= 5.55D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.05D-03    CP:  1.29D+00  1.13D+00
 E= -767.458100227532     Delta-E=       -0.000182571060 Rises=F Damp=F
 DIIS: error= 3.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.458100227532     IErMin= 2 ErrMin= 3.06D-04
 ErrMax= 3.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-04 BMatP= 1.93D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.38D-03
 Coeff-Com: -0.369D-01 0.517D+00 0.520D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.368D-01 0.515D+00 0.521D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=6.02D-04 MaxDP=6.17D-02 DE=-1.83D-04 OVMax= 1.51D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  1.30D+00  1.14D+00  1.08D+00
 E= -767.458225554169     Delta-E=       -0.000125326637 Rises=F Damp=F
 DIIS: error= 5.12D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.458225554169     IErMin= 4 ErrMin= 5.12D-05
 ErrMax= 5.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-06 BMatP= 1.80D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.253D-02-0.281D-01 0.889D-01 0.942D+00
 Coeff:     -0.253D-02-0.281D-01 0.889D-01 0.942D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=3.08D-04 MaxDP=3.11D-02 DE=-1.25D-04 OVMax= 1.12D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.36D-05    CP:  1.30D+00  1.15D+00  1.14D+00  1.41D+00
 E= -767.458232966973     Delta-E=       -0.000007412804 Rises=F Damp=F
 DIIS: error= 2.10D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.458232966973     IErMin= 5 ErrMin= 2.10D-05
 ErrMax= 2.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 4.55D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-02-0.564D-01-0.123D-01 0.401D+00 0.666D+00
 Coeff:      0.206D-02-0.564D-01-0.123D-01 0.401D+00 0.666D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=3.48D-05 MaxDP=2.40D-03 DE=-7.41D-06 OVMax= 3.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.03D-05    CP:  1.30D+00  1.15D+00  1.15D+00  1.51D+00  1.15D+00
 E= -767.458234330601     Delta-E=       -0.000001363628 Rises=F Damp=F
 DIIS: error= 9.30D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.458234330601     IErMin= 6 ErrMin= 9.30D-06
 ErrMax= 9.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-07 BMatP= 1.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-02-0.217D-01-0.190D-01 0.474D-01 0.302D+00 0.690D+00
 Coeff:      0.133D-02-0.217D-01-0.190D-01 0.474D-01 0.302D+00 0.690D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=1.92D-03 DE=-1.36D-06 OVMax= 1.87D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.39D-06    CP:  1.30D+00  1.15D+00  1.15D+00  1.54D+00  1.20D+00
                    CP:  1.21D+00
 E= -767.458234581760     Delta-E=       -0.000000251160 Rises=F Damp=F
 DIIS: error= 4.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.458234581760     IErMin= 7 ErrMin= 4.61D-06
 ErrMax= 4.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-08 BMatP= 1.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.207D-03 0.412D-03-0.504D-02-0.460D-01 0.971D-02 0.273D+00
 Coeff-Com:  0.768D+00
 Coeff:      0.207D-03 0.412D-03-0.504D-02-0.460D-01 0.971D-02 0.273D+00
 Coeff:      0.768D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.32D-05 MaxDP=1.35D-03 DE=-2.51D-07 OVMax= 1.02D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.59D-06    CP:  1.30D+00  1.15D+00  1.15D+00  1.54D+00  1.22D+00
                    CP:  1.25D+00  1.36D+00
 E= -767.458234633619     Delta-E=       -0.000000051859 Rises=F Damp=F
 DIIS: error= 2.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.458234633619     IErMin= 8 ErrMin= 2.01D-06
 ErrMax= 2.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-09 BMatP= 2.69D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.169D-03 0.406D-02 0.198D-02-0.245D-01-0.531D-01-0.418D-01
 Coeff-Com:  0.271D+00 0.842D+00
 Coeff:     -0.169D-03 0.406D-02 0.198D-02-0.245D-01-0.531D-01-0.418D-01
 Coeff:      0.271D+00 0.842D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=4.38D-06 MaxDP=3.77D-04 DE=-5.19D-08 OVMax= 5.98D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.38D-06    CP:  1.30D+00  1.15D+00  1.14D+00  1.55D+00  1.22D+00
                    CP:  1.28D+00  1.42D+00  1.25D+00
 E= -767.458234643113     Delta-E=       -0.000000009494 Rises=F Damp=F
 DIIS: error= 7.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.458234643113     IErMin= 9 ErrMin= 7.51D-07
 ErrMax= 7.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.47D-10 BMatP= 4.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.817D-04 0.147D-02 0.128D-02-0.459D-02-0.222D-01-0.492D-01
 Coeff-Com:  0.239D-01 0.350D+00 0.699D+00
 Coeff:     -0.817D-04 0.147D-02 0.128D-02-0.459D-02-0.222D-01-0.492D-01
 Coeff:      0.239D-01 0.350D+00 0.699D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=9.87D-07 MaxDP=7.92D-05 DE=-9.49D-09 OVMax= 1.35D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.41D-07    CP:  1.30D+00  1.15D+00  1.14D+00  1.55D+00  1.22D+00
                    CP:  1.27D+00  1.43D+00  1.29D+00  1.09D+00
 E= -767.458234644265     Delta-E=       -0.000000001152 Rises=F Damp=F
 DIIS: error= 1.76D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.458234644265     IErMin=10 ErrMin= 1.76D-07
 ErrMax= 1.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.51D-11 BMatP= 6.47D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-05-0.264D-03 0.501D-04 0.328D-02 0.300D-02-0.794D-02
 Coeff-Com: -0.444D-01-0.518D-01 0.196D+00 0.902D+00
 Coeff:      0.274D-05-0.264D-03 0.501D-04 0.328D-02 0.300D-02-0.794D-02
 Coeff:     -0.444D-01-0.518D-01 0.196D+00 0.902D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.07D-06 MaxDP=9.27D-05 DE=-1.15D-09 OVMax= 7.91D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.00D-07    CP:  1.30D+00  1.15D+00  1.15D+00  1.55D+00  1.22D+00
                    CP:  1.26D+00  1.42D+00  1.28D+00  1.11D+00  1.22D+00
 E= -767.458234644443     Delta-E=       -0.000000000178 Rises=F Damp=F
 DIIS: error= 8.34D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.458234644443     IErMin=11 ErrMin= 8.34D-08
 ErrMax= 8.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.94D-12 BMatP= 6.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.965D-05-0.253D-03-0.123D-03 0.171D-02 0.332D-02 0.223D-02
 Coeff-Com: -0.185D-01-0.515D-01 0.177D-02 0.316D+00 0.745D+00
 Coeff:      0.965D-05-0.253D-03-0.123D-03 0.171D-02 0.332D-02 0.223D-02
 Coeff:     -0.185D-01-0.515D-01 0.177D-02 0.316D+00 0.745D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.23D-07 MaxDP=2.14D-05 DE=-1.78D-10 OVMax= 1.54D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.37D-08    CP:  1.30D+00  1.15D+00  1.15D+00  1.54D+00  1.22D+00
                    CP:  1.26D+00  1.41D+00  1.27D+00  1.12D+00  1.26D+00
                    CP:  1.10D+00
 E= -767.458234644419     Delta-E=        0.000000000024 Rises=F Damp=F
 DIIS: error= 2.46D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.458234644443     IErMin=12 ErrMin= 2.46D-08
 ErrMax= 2.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-12 BMatP= 7.94D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.283D-05-0.498D-04-0.509D-04 0.141D-03 0.688D-03 0.188D-02
 Coeff-Com: -0.375D-03-0.980D-02-0.251D-01-0.869D-02 0.260D+00 0.782D+00
 Coeff:      0.283D-05-0.498D-04-0.509D-04 0.141D-03 0.688D-03 0.188D-02
 Coeff:     -0.375D-03-0.980D-02-0.251D-01-0.869D-02 0.260D+00 0.782D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=3.99D-08 MaxDP=1.64D-06 DE= 2.39D-11 OVMax= 5.75D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.45D-08    CP:  1.30D+00  1.15D+00  1.15D+00  1.55D+00  1.22D+00
                    CP:  1.26D+00  1.41D+00  1.27D+00  1.11D+00  1.27D+00
                    CP:  1.17D+00  9.81D-01
 E= -767.458234644400     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 1.01D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -767.458234644443     IErMin=13 ErrMin= 1.01D-08
 ErrMax= 1.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-13 BMatP= 1.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.261D-06 0.142D-04-0.913D-06-0.152D-03-0.174D-03 0.343D-03
 Coeff-Com:  0.191D-02 0.286D-02-0.880D-02-0.390D-01-0.124D-01 0.253D+00
 Coeff-Com:  0.802D+00
 Coeff:     -0.261D-06 0.142D-04-0.913D-06-0.152D-03-0.174D-03 0.343D-03
 Coeff:      0.191D-02 0.286D-02-0.880D-02-0.390D-01-0.124D-01 0.253D+00
 Coeff:      0.802D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=3.06D-08 MaxDP=2.86D-06 DE= 1.89D-11 OVMax= 2.74D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  8.54D-09    CP:  1.30D+00  1.15D+00  1.15D+00  1.55D+00  1.22D+00
                    CP:  1.26D+00  1.41D+00  1.27D+00  1.11D+00  1.27D+00
                    CP:  1.18D+00  1.06D+00  1.09D+00
 E= -767.458234644494     Delta-E=       -0.000000000094 Rises=F Damp=F
 DIIS: error= 3.32D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -767.458234644494     IErMin=14 ErrMin= 3.32D-09
 ErrMax= 3.32D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-14 BMatP= 1.28D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.479D-06 0.123D-04 0.674D-05-0.796D-04-0.170D-03-0.130D-03
 Coeff-Com:  0.778D-03 0.251D-02 0.757D-04-0.135D-01-0.424D-01-0.867D-02
 Coeff-Com:  0.302D+00 0.760D+00
 Coeff:     -0.479D-06 0.123D-04 0.674D-05-0.796D-04-0.170D-03-0.130D-03
 Coeff:      0.778D-03 0.251D-02 0.757D-04-0.135D-01-0.424D-01-0.867D-02
 Coeff:      0.302D+00 0.760D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=1.10D-06 DE=-9.41D-11 OVMax= 1.41D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.00D-09    CP:  1.30D+00  1.15D+00  1.15D+00  1.55D+00  1.22D+00
                    CP:  1.26D+00  1.41D+00  1.27D+00  1.11D+00  1.27D+00
                    CP:  1.18D+00  1.07D+00  1.17D+00  1.10D+00
 E= -767.458234644359     Delta-E=        0.000000000135 Rises=F Damp=F
 DIIS: error= 1.87D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -767.458234644494     IErMin=15 ErrMin= 1.87D-09
 ErrMax= 1.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-15 BMatP= 2.06D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.408D-07-0.211D-06 0.132D-05 0.108D-04-0.414D-05-0.706D-04
 Coeff-Com: -0.163D-03-0.247D-04 0.134D-02 0.398D-02-0.514D-02-0.392D-01
 Coeff-Com: -0.866D-01 0.123D+00 0.100D+01
 Coeff:     -0.408D-07-0.211D-06 0.132D-05 0.108D-04-0.414D-05-0.706D-04
 Coeff:     -0.163D-03-0.247D-04 0.134D-02 0.398D-02-0.514D-02-0.392D-01
 Coeff:     -0.866D-01 0.123D+00 0.100D+01
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=2.57D-09 MaxDP=1.28D-07 DE= 1.35D-10 OVMax= 9.36D-08

 SCF Done:  E(RwB97XD) =  -767.458234644     A.U. after   15 cycles
            NFock= 15  Conv=0.26D-08     -V/T= 2.0058
 KE= 7.630599409176D+02 PE=-4.053732256849D+03 EE= 1.390526226179D+03
 Leave Link  502 at Thu Sep 23 13:17:26 2021, MaxMem=  5368709120 cpu:            6666.0 elap:             835.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.99756176D+02

 Leave Link  801 at Thu Sep 23 13:17:26 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 4.94D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.33D-01 9.91D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 6.08D-02 1.24D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 7.36D-03 3.69D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.57D-03 1.10D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 2.22D-04 2.96D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.51D-05 6.28D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 8.73D-07 1.42D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 4.74D-08 3.86D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 1.45D-09 6.17D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 4.12D-11 8.76D-07.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 1.65D-12 1.21D-07.
      6 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.70D-13 5.22D-08.
      3 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 1.28D-13 1.73D-08.
      1 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 5.29D-14 9.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   139 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.295214D+03
      2 -0.197878D+02  0.183114D+03
      3 -0.803231D+01 -0.502830D+01  0.123310D+03
 Isotropic polarizability for W=    0.088559      200.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.432973D+03 -0.112606D+03 -0.901563D+02
      2  -0.186918D+03  0.942616D+02  0.794107D+01
      3  -0.246055D+03  0.183444D+02  0.822153D+02
      4  -0.622329D+02  0.912946D+02 -0.495887D+01
      5  -0.869836D+01  0.109706D+01 -0.816812D+02
      6  -0.391338D+01  0.211119D+02 -0.209336D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.116673D+02  0.207322D+02  0.278523D+01
      2  -0.806928D+02 -0.200742D+01 -0.239107D+02
      3   0.105119D+03 -0.445595D+02 -0.520809D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.605593D+01  0.131708D+02  0.392779D+02
      2  -0.814580D+02 -0.104549D+01  0.164374D+03
      3   0.503731D+02 -0.278212D+03 -0.501044D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.209377D+01  0.645425D+01 -0.157698D+02
      2   0.645425D+01  0.296821D+01  0.288780D+01
      3  -0.157698D+02  0.288780D+01  0.357731D+01
 OR G Eigenvalues:   -17.5490     4.9436    17.0572  Iso=    -1.4839
 Eigenvectors:
   (1)   0.739020  -0.316206   0.594865
   (2)   0.143881   0.936712   0.319170
   (3)  -0.658140  -0.150283   0.737745
 w=    0.088559 a.u., Optical Rotation Beta=     -1.4839 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -326.79 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.96D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.69D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.07D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 3.92D-02 4.30D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 4.86D-03 1.56D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.57D-04 2.41D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 6.89D-06 3.41D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 2.07D-07 4.48D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 3.49D-09 5.89D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 4.99D-11 8.63D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 5.81D-13 6.85D-08.
     10 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 7.18D-14 1.65D-08.
      2 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 5.30D-14 1.04D-08.
      1 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 3.56D-15 3.74D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   283 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.10D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.10D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.295214D+03 -0.197878D+02 -0.803231D+01
      2  -0.197878D+02  0.183114D+03 -0.502830D+01
      3  -0.803231D+01 -0.502830D+01  0.123310D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116673D+02  0.207322D+02  0.278523D+01
      2  -0.806928D+02 -0.200742D+01 -0.239107D+02
      3   0.105119D+03 -0.445595D+02 -0.520809D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.432973D+03 -0.112606D+03 -0.901563D+02
      2  -0.186918D+03  0.942616D+02  0.794107D+01
      3  -0.246055D+03  0.183444D+02  0.822153D+02
      4  -0.622329D+02  0.912946D+02 -0.495887D+01
      5  -0.869836D+01  0.109706D+01 -0.816812D+02
      6  -0.391338D+01  0.211119D+02 -0.209336D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.384861D+02 -0.768204D+01 -0.123601D+01 -0.378658D+01  0.220545D+01
      2  -0.768204D+01  0.100892D+02 -0.848186D-01  0.220545D+01 -0.142777D+02
      3  -0.123601D+01 -0.848186D-01  0.399611D+01  0.615308D+00  0.154541D+01
                 6             7             8             9            10 
      1   0.615308D+00 -0.186025D+01  0.110355D+01  0.724132D+01  0.537354D+01
      2   0.154541D+01  0.110355D+01  0.176743D+00 -0.146382D+01  0.183720D+01
      3  -0.134108D+00  0.724132D+01 -0.146382D+01 -0.135281D+01 -0.201773D+00
                11            12            13            14            15 
      1   0.183720D+01 -0.201773D+00 -0.146037D+02  0.418128D+01  0.104073D+01
      2   0.106827D+02 -0.155345D+01  0.418128D+01  0.411918D+01 -0.148036D+01
      3  -0.155345D+01  0.273532D+01  0.104073D+01 -0.148036D+01 -0.166854D+01
                16            17            18            19            20 
      1   0.161627D+01 -0.499947D+00  0.401863D+01 -0.366737D+02  0.122380D+02
      2  -0.499947D+00 -0.208470D+01 -0.275434D+01  0.122380D+02 -0.920657D+01
      3   0.401863D+01 -0.275434D+01 -0.281001D+00  0.142329D+01  0.630662D+00
                21            22            23            24            25 
      1   0.142329D+01  0.196659D+02 -0.541319D+01 -0.732071D+00  0.175831D+01
      2   0.630662D+00 -0.541319D+01  0.786176D+01  0.326875D+00 -0.142184D+00
      3  -0.431326D+00 -0.732071D+00  0.326875D+00  0.251507D+01  0.435397D+00
                26            27            28            29            30 
      1  -0.142184D+00  0.435397D+00  0.368525D+02 -0.110278D+02 -0.122861D+01
      2   0.111988D+01  0.464229D+01 -0.110278D+02  0.320130D+01  0.392319D+00
      3   0.464229D+01 -0.126836D+01 -0.122861D+01  0.392319D+00 -0.158272D-01
                31            32            33            34            35 
      1   0.446487D+02 -0.887974D+01 -0.305682D+01 -0.805997D+01  0.221195D+01
      2  -0.887974D+01  0.835311D+01  0.323009D+00  0.221195D+01 -0.969073D+00
      3  -0.305682D+01  0.323009D+00 -0.160926D+00  0.129190D+01  0.925664D+00
                36            37            38            39            40 
      1   0.129190D+01 -0.399486D+02  0.115135D+02  0.132045D+01 -0.415516D+02
      2   0.925664D+00  0.115135D+02 -0.757476D+01 -0.549081D+00  0.775781D+01
      3  -0.261409D+00  0.132045D+01 -0.549081D+00  0.148522D+00  0.276081D+01
                41            42            43            44            45 
      1   0.775781D+01  0.276081D+01  0.818870D+01 -0.200770D+01 -0.143191D+01
      2  -0.600448D+01 -0.186202D+00 -0.200770D+01  0.121301D+01 -0.831791D+00
      3  -0.186202D+00 -0.786943D-02 -0.143191D+01 -0.831791D+00  0.353339D+00
                46            47            48            49            50 
      1  -0.617868D+01 -0.288422D+01  0.958328D+00 -0.140579D+01  0.388279D+01
      2  -0.288422D+01 -0.567620D+01  0.334846D+00  0.388279D+01 -0.320351D+01
      3   0.958328D+00  0.334846D+00 -0.247139D+01 -0.784046D+00 -0.691528D+00
                51            52            53            54            55 
      1  -0.784046D+00  0.780366D+00 -0.563000D+00 -0.662680D+00  0.106403D+02
      2  -0.691528D+00 -0.563000D+00 -0.278853D-01 -0.426660D+01  0.151257D+01
      3  -0.140088D+01 -0.662680D+00 -0.426660D+01  0.148976D+01 -0.169466D+01
                56            57            58            59            60 
      1   0.151257D+01 -0.169466D+01 -0.653417D-01 -0.318795D+01  0.793978D+00
      2   0.104326D+02  0.619918D-01 -0.318795D+01  0.824333D+00  0.780641D+00
      3   0.619918D-01  0.208906D+01  0.793978D+00  0.780641D+00  0.154530D+01
                61            62            63            64            65 
      1  -0.824976D+00  0.790960D+00  0.122673D+01 -0.533344D+01 -0.217116D+01
      2   0.790960D+00  0.482470D-02  0.466690D+01 -0.217116D+01 -0.147209D+02
      3   0.122673D+01  0.466690D+01 -0.149454D+01  0.415589D+00  0.127202D+01
                66            67            68            69            70 
      1   0.415589D+00  0.110899D+02 -0.173458D+01 -0.562573D+00 -0.342100D+01
      2   0.127202D+01 -0.173458D+01 -0.756338D+01  0.132579D+01  0.135856D+00
      3  -0.281869D+01 -0.562573D+00  0.132579D+01  0.131404D+01 -0.559159D+01
                71            72            73            74            75 
      1   0.135856D+00 -0.559159D+01 -0.480033D+02  0.575794D+01  0.182336D+01
      2   0.303888D+01  0.263278D+01  0.575794D+01 -0.497337D+01  0.222197D+00
      3   0.263278D+01  0.807452D+00  0.182336D+01  0.222197D+00 -0.151530D+01
                76            77            78            79            80 
      1   0.821463D+01 -0.251012D+01 -0.112119D+01  0.982252D+00 -0.105553D+01
      2  -0.251012D+01  0.177631D+02 -0.140668D+01 -0.105553D+01 -0.888625D+00
      3  -0.112119D+01 -0.140668D+01 -0.436245D+00 -0.614367D+01  0.832735D+00
                81            82            83            84            85 
      1  -0.614367D+01  0.418239D+02 -0.121259D+02 -0.180650D+01 -0.217988D+02
      2   0.832735D+00 -0.121259D+02  0.113881D+02 -0.635414D+00  0.294072D+01
      3   0.111851D+01 -0.180650D+01 -0.635414D+00  0.842613D-01  0.596740D+00
                86            87            88            89            90 
      1   0.294072D+01  0.596740D+00 -0.395005D+01  0.440709D-01 -0.458948D+00
      2  -0.757148D+01  0.170082D+00  0.440709D-01 -0.104066D+01 -0.346128D+01
      3   0.170082D+00 -0.176257D+01 -0.458948D+00 -0.346128D+01  0.120639D+01
                91            92            93            94            95 
      1   0.773731D+01 -0.161130D+01 -0.104026D+01  0.510022D+01  0.226901D+01
      2  -0.161130D+01  0.197471D+01  0.531909D-01  0.226901D+01 -0.279869D+01
      3  -0.104026D+01  0.531909D-01  0.212201D+01 -0.641308D+00 -0.450618D+00
                96            97            98            99           100 
      1  -0.641308D+00  0.476968D+01  0.423521D+00  0.692798D+01 -0.106296D+02
      2  -0.450618D+00  0.423521D+00  0.312112D-01  0.252293D+01  0.480868D+01
      3   0.348068D+01  0.692798D+01  0.252293D+01 -0.602766D+00  0.210720D+00
               101           102           103           104           105 
      1   0.480868D+01  0.210720D+00 -0.480103D+00  0.295847D+01 -0.393162D+00
      2  -0.453129D+01 -0.265987D-01  0.295847D+01  0.111245D+01 -0.433170D+00
      3  -0.265987D-01 -0.343697D+00 -0.393162D+00 -0.433170D+00 -0.105590D+01
               106           107           108           109           110 
      1   0.103455D+01 -0.699643D+00 -0.654143D-01 -0.270889D+00 -0.473937D+01
      2  -0.699643D+00  0.477590D+00  0.730755D+00 -0.473937D+01  0.194814D+01
      3  -0.654143D-01  0.730755D+00  0.818902D-02  0.382891D+00  0.780345D+00
               111           112           113           114           115 
      1   0.382891D+00 -0.552583D+01 -0.151463D+01  0.105214D+01  0.274768D+00
      2   0.780345D+00 -0.151463D+01  0.153684D+01  0.102867D+01  0.900882D+00
      3  -0.922169D-01  0.105214D+01  0.102867D+01  0.601185D+01 -0.230533D+01
               116           117           118           119           120 
      1   0.900882D+00 -0.230533D+01  0.675687D+01 -0.312295D+01 -0.365122D+00
      2   0.641695D+00  0.466095D+01 -0.312295D+01  0.278873D+01  0.126790D-01
      3   0.466095D+01 -0.113263D+01 -0.365122D+00  0.126790D-01  0.226178D+00
               121           122           123           124           125 
      1  -0.419826D+01  0.461990D+01 -0.189186D+00 -0.458184D+00 -0.209687D+00
      2   0.461990D+01 -0.555052D+01  0.874212D-01 -0.209687D+00  0.262570D+00
      3  -0.189186D+00  0.874212D-01 -0.505693D+00 -0.465896D+00 -0.101123D-02
               126           127           128           129           130 
      1  -0.465896D+00  0.169608D+01  0.277807D+01 -0.385348D+00  0.331202D+01
      2  -0.101123D-02  0.277807D+01  0.222818D+01 -0.447707D+00  0.369379D+01
      3   0.128311D+00 -0.385348D+00 -0.447707D+00  0.445321D+00 -0.568220D+00
               131           132           133           134           135 
      1   0.369379D+01 -0.568220D+00 -0.501894D+00 -0.647554D+00  0.268250D+00
      2   0.771028D+01 -0.101706D+01 -0.647554D+00 -0.104686D+01  0.119650D+00
      3  -0.101706D+01  0.962703D+00  0.268250D+00  0.119650D+00 -0.155235D+00
               136           137           138           139           140 
      1  -0.772702D+00 -0.159110D+01  0.245926D+00 -0.440073D+00 -0.128030D+01
      2  -0.159110D+01 -0.234495D+01  0.399372D+00 -0.128030D+01 -0.917043D+01
      3   0.245926D+00  0.399372D+00 -0.240476D+00  0.125966D+00  0.103502D+01
               141           142           143           144           145 
      1   0.125966D+00  0.163671D+00  0.324388D+00  0.895191D-01  0.112949D+01
      2   0.103502D+01  0.324388D+00  0.123817D+01 -0.129488D+00  0.174017D+01
      3  -0.893282D+00  0.895191D-01 -0.129488D+00  0.987093D-01 -0.268385D+00
               146           147           148           149           150 
      1   0.174017D+01 -0.268385D+00  0.782179D+00  0.179525D+01 -0.161122D+00
      2   0.272812D+01 -0.425112D+00  0.179525D+01  0.104918D+02 -0.109376D+01
      3  -0.425112D+00  0.255178D+00 -0.161122D+00 -0.109376D+01  0.933504D+00
               151           152           153           154           155 
      1   0.216089D+00 -0.450489D+00  0.622300D-01 -0.564117D+01  0.346538D+01
      2  -0.450489D+00 -0.141537D+01  0.112014D+00  0.346538D+01 -0.353586D+01
      3   0.622300D-01  0.112014D+00 -0.743426D-01  0.270671D+00 -0.627397D-01
               156           157           158           159           160 
      1   0.270671D+00  0.377920D+01 -0.466502D+01  0.172511D+00  0.103752D+00
      2  -0.627397D-01 -0.466502D+01  0.625518D+01 -0.792789D-02  0.283945D+00
      3  -0.380841D+00  0.172511D+00 -0.792789D-02  0.668122D+00  0.437625D+00
               161           162           163           164           165 
      1   0.283945D+00  0.437625D+00  0.909621D+00 -0.903395D+00  0.142003D+01
      2  -0.292421D+00  0.202200D+00 -0.903395D+00 -0.387362D+00  0.665962D+00
      3   0.202200D+00 -0.217320D+00  0.142003D+01  0.665962D+00 -0.158876D+00
               166           167           168           169           170 
      1  -0.247093D+01 -0.263088D+01  0.681331D+00  0.191714D+01  0.110438D+01
      2  -0.263088D+01 -0.553043D+01  0.865043D+00  0.110438D+01  0.786291D+00
      3   0.681331D+00  0.865043D+00 -0.854410D+00  0.218298D-01 -0.202446D-01
               171           172           173           174           175 
      1   0.218298D-01 -0.161097D+01  0.225284D+01  0.214387D+00  0.446592D+01
      2  -0.202446D-01  0.225284D+01 -0.168355D+01 -0.241984D+00 -0.236273D+01
      3   0.219692D+00  0.214387D+00 -0.241984D+00 -0.909348D+00 -0.559019D+00
               176           177           178           179           180 
      1  -0.236273D+01 -0.559019D+00 -0.144771D+00 -0.270800D+00 -0.127579D+01
      2   0.496282D+01  0.414792D+00 -0.270800D+00  0.314908D+00  0.548781D+00
      3   0.414792D+00  0.977269D+00 -0.127579D+01  0.548781D+00  0.406277D+00
               181           182           183           184           185 
      1   0.101200D+02  0.135236D+01 -0.160684D+01 -0.188054D+01 -0.203115D+01
      2   0.135236D+01 -0.150659D+01 -0.386728D+00 -0.203115D+01  0.241924D+01
      3  -0.160684D+01 -0.386728D+00 -0.301862D+01  0.810409D+00 -0.251317D+00
               186           187           188           189           190 
      1   0.810409D+00  0.288486D+01  0.459327D+00 -0.421126D+01  0.476592D+01
      2  -0.251317D+00  0.459327D+00  0.202604D+00 -0.330970D+01 -0.958729D+00
      3  -0.505414D+01 -0.421126D+01 -0.330970D+01 -0.425686D+00  0.276643D+01
               191           192           193           194           195 
      1  -0.958729D+00  0.276643D+01 -0.432630D+01 -0.686273D+00 -0.248671D+01
      2  -0.371629D+00 -0.106335D+01 -0.686273D+00 -0.183567D-01  0.302094D+00
      3  -0.106335D+01  0.124305D+01 -0.248671D+01  0.302094D+00 -0.482085D+01
               196           197           198           199           200 
      1   0.433944D+01 -0.163624D+01  0.582861D+00  0.143512D+02  0.188583D+01
      2  -0.163624D+01  0.221670D-02 -0.274629D+01  0.188583D+01  0.980508D+00
      3   0.582861D+00 -0.274629D+01  0.621142D+00 -0.132160D+01 -0.195610D+00
               201           202           203           204           205 
      1  -0.132160D+01  0.557787D+01  0.162349D+01 -0.513764D+00 -0.173004D+01
      2  -0.195610D+00  0.162349D+01  0.134743D+01 -0.287996D+00 -0.228093D+00
      3   0.122531D+01 -0.513764D+00 -0.287996D+00  0.357775D+00  0.169122D+01
               206           207           208           209           210 
      1  -0.228093D+00  0.169122D+01 -0.882086D+00  0.520279D-01 -0.684576D+00
      2  -0.280613D+00 -0.178674D+00  0.520279D-01 -0.581374D+00 -0.128371D+00
      3  -0.178674D+00 -0.414908D+00 -0.684576D+00 -0.128371D+00 -0.583983D+00
               211           212           213           214           215 
      1  -0.181798D+01  0.195087D+01  0.129304D+01 -0.345131D+01  0.156296D+01
      2   0.195087D+01 -0.362035D+01 -0.260613D+01  0.156296D+01 -0.271950D+01
      3   0.129304D+01 -0.260613D+01 -0.310826D+01  0.240149D+01 -0.315599D+01
               216           217           218           219           220 
      1   0.240149D+01  0.812101D+00 -0.158961D+00  0.121368D+01 -0.144024D+01
      2  -0.315599D+01 -0.158961D+00 -0.143879D+00 -0.430472D+00  0.181395D+01
      3  -0.440651D+01  0.121368D+01 -0.430472D+00  0.881518D-01 -0.135823D+01
               221           222           223           224           225 
      1   0.181395D+01 -0.135823D+01  0.488133D+01 -0.197861D+01  0.301209D+01
      2  -0.233360D+01  0.171020D+01 -0.197861D+01  0.216499D+01 -0.274709D+01
      3   0.171020D+01 -0.256678D+01  0.301209D+01 -0.274709D+01  0.521767D+01
               226           227           228           229           230 
      1   0.427359D-01  0.421659D+00  0.994991D+00  0.150749D+01  0.356873D+00
      2   0.421659D+00  0.580933D+00  0.399473D+00  0.356873D+00  0.103905D+01
      3   0.994991D+00  0.399473D+00  0.240853D+01 -0.325010D+00  0.151471D+01
               231           232           233           234           235 
      1  -0.325010D+00  0.129906D+01  0.196770D+00  0.212159D+00  0.512868D+00
      2   0.151471D+01  0.196770D+00  0.130138D+01  0.169122D+01 -0.543389D+00
      3   0.362044D+01  0.212159D+00  0.169122D+01  0.763910D+01 -0.233557D+00
               236           237           238           239           240 
      1  -0.543389D+00 -0.233557D+00 -0.221946D+01  0.451172D-01  0.427900D+00
      2   0.118947D+01 -0.352692D+00  0.451172D-01 -0.511582D+01  0.109478D+01
      3  -0.352692D+00  0.110300D+01  0.427900D+00  0.109478D+01 -0.141590D+01
               241           242           243           244           245 
      1  -0.726150D+00 -0.256935D+00  0.602378D+00 -0.152829D+02 -0.188771D+01
      2  -0.256935D+00  0.331967D+00 -0.336164D+00 -0.188771D+01 -0.102663D+01
      3   0.602378D+00 -0.336164D+00  0.111420D+00  0.395780D+01  0.581029D+00
               246           247           248           249           250 
      1   0.395780D+01 -0.169829D+01 -0.129416D+01  0.289853D+00  0.127391D+01
      2   0.581029D+00 -0.129416D+01 -0.544757D+00  0.463735D+00  0.177465D+00
      3  -0.240824D+01  0.289853D+00  0.463735D+00  0.223671D+00 -0.147169D+01
               251           252           253           254           255 
      1   0.177465D+00 -0.147169D+01 -0.912057D+01  0.268183D+01 -0.447029D+01
      2  -0.219545D-01  0.562450D-01  0.268183D+01 -0.130731D+01  0.892445D+00
      3   0.562450D-01  0.973896D+00 -0.447029D+01  0.892445D+00 -0.284417D+01
               256           257           258           259           260 
      1   0.725685D+01 -0.194175D+01  0.265457D+01 -0.973334D+01  0.124613D+01
      2  -0.194175D+01  0.389880D+01 -0.234040D+01  0.124613D+01 -0.189163D+01
      3   0.265457D+01 -0.234040D+01  0.371922D+01 -0.586912D+01  0.272691D+01
               261           262           263           264           265 
      1  -0.586912D+01 -0.134478D-01 -0.127054D+01  0.449304D+00 -0.474197D+01
      2   0.272691D+01 -0.127054D+01  0.822131D+00  0.101100D+01 -0.660490D+00
      3  -0.753334D+01  0.449304D+00  0.101100D+01  0.164564D+01  0.106270D+01
               266           267           268           269           270 
      1  -0.660490D+00  0.106270D+01  0.917306D+00  0.182324D+01  0.239527D+01
      2  -0.365026D+01  0.831918D+00  0.182324D+01  0.272240D+01  0.168523D+01
      3   0.831918D+00  0.132038D+01  0.239527D+01  0.168523D+01  0.461256D+01
               271           272           273           274           275 
      1  -0.164829D+01 -0.161945D+01 -0.152431D+01 -0.949172D+00 -0.130182D+01
      2  -0.161945D+01 -0.146270D+01 -0.112542D+01 -0.130182D+01 -0.274160D+01
      3  -0.152431D+01 -0.112542D+01 -0.158261D+01 -0.925553D+00 -0.156703D+01
               276           277           278           279 
      1  -0.925553D+00 -0.253951D+01 -0.214297D+01 -0.296556D+01
      2  -0.156703D+01 -0.214297D+01 -0.335203D+01 -0.335476D+01
      3  -0.180367D+01 -0.296556D+01 -0.335476D+01 -0.539156D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.619514D+00  0.515742D+01 -0.266463D+01  0.425284D+01 -0.126713D+01
      2  -0.107762D+02  0.464500D+01  0.245096D+01  0.616397D+01 -0.322338D+01
      3   0.101374D+02  0.157743D+02 -0.190055D+01  0.371787D+02 -0.148358D+01
                 6             7             8             9            10 
      1   0.362115D+01 -0.722472D+00  0.148918D+02 -0.148440D+01  0.426159D-01
      2  -0.514931D+00  0.373464D+01  0.183582D+01 -0.236021D+01 -0.204497D+01
      3  -0.269371D+01 -0.446237D+01 -0.272471D+01  0.465903D+01 -0.211600D+02
                11            12            13            14            15 
      1   0.371770D+01  0.598714D+01 -0.286197D-01  0.237493D-01 -0.204130D+01
      2   0.988663D+00  0.849739D+01  0.147058D+01 -0.262955D+01 -0.453444D+01
      3   0.173082D+01 -0.147126D+00 -0.203985D+02 -0.106076D+02  0.320550D+01
                16            17            18            19            20 
      1   0.121669D+02  0.494329D+01 -0.279314D+01 -0.260393D+01 -0.438808D+01
      2  -0.485024D+01 -0.116903D+02  0.215272D+00  0.838568D+01 -0.609066D+01
      3   0.361257D+01  0.143494D+01  0.318161D+00 -0.395052D+02 -0.281741D+02
                21            22            23            24            25 
      1   0.104444D+01 -0.115592D+01  0.241805D+01 -0.376898D+01 -0.738996D+01
      2   0.277847D+01 -0.655432D+01  0.563076D+01  0.518744D+01 -0.166876D+02
      3   0.502533D+01  0.997526D+01  0.793659D+01 -0.294073D+01  0.439827D+01
                26            27            28            29            30 
      1   0.255443D+01  0.837848D+00  0.111465D+01  0.515996D+01 -0.115764D+01
      2   0.190084D+02 -0.218056D+01 -0.141401D+02  0.905703D+01 -0.458369D+01
      3  -0.132674D+01 -0.103799D+02  0.332427D+02  0.413110D+02 -0.653517D+01
                31            32            33            34            35 
      1   0.453944D+01  0.224700D-01  0.121315D+01 -0.560550D+01  0.699310D+01
      2  -0.684994D+01 -0.187890D+01  0.888694D+00 -0.189183D+02  0.154549D+01
      3   0.705483D+02 -0.325228D+02 -0.252545D+01 -0.812024D+01 -0.185000D+01
                36            37            38            39            40 
      1  -0.416454D-02 -0.193295D+00  0.332591D+01 -0.106397D+01  0.319933D+01
      2   0.162468D+01  0.124592D+02  0.254189D+01 -0.661959D+00  0.116832D+02
      3   0.534007D+00 -0.166929D+02  0.468946D+02 -0.502632D+01  0.212644D+02
                41            42            43            44            45 
      1  -0.384627D+01 -0.290563D+00 -0.419439D+01  0.816538D+01 -0.383562D+00
      2  -0.528413D+01 -0.419518D+00 -0.220724D+02  0.246119D+01  0.162219D+01
      3  -0.303646D+02  0.168089D+01  0.266530D+01 -0.278986D+01  0.894698D+00
                46            47            48            49            50 
      1   0.187440D+01 -0.540082D+01 -0.514755D+01 -0.100276D+01  0.218729D+01
      2   0.619454D-01 -0.476686D+01 -0.640366D+01 -0.142760D+01  0.221730D+01
      3   0.371878D+02 -0.340895D+02  0.345018D+01 -0.716291D+01  0.351265D+02
                51            52            53            54            55 
      1  -0.286915D+01 -0.727906D+01 -0.253077D+01  0.193805D+01  0.189573D+01
      2  -0.215163D+01 -0.226843D+02 -0.330094D+01  0.441295D+01  0.328222D+01
      3  -0.192340D+01  0.155258D+01  0.189718D+01  0.110617D+02  0.354311D+02
                56            57            58            59            60 
      1  -0.179840D+01 -0.556656D+01 -0.283010D+01  0.182723D+01 -0.403240D+01
      2  -0.614519D+01  0.366494D+00 -0.331737D+01  0.434018D+01 -0.360006D+00
      3  -0.347959D+02  0.197710D+01 -0.675424D+01  0.270500D+02 -0.150250D+01
                61            62            63            64            65 
      1  -0.841738D+01 -0.540641D+01  0.396669D+01 -0.364022D-01 -0.190599D+01
      2  -0.170909D+02  0.267809D+00  0.166322D+01 -0.345314D+01  0.167440D+01
      3  -0.124178D+00  0.182678D+01  0.503874D+01 -0.190167D+02  0.575957D+01
                66            67            68            69            70 
      1   0.719197D+01  0.327437D+01 -0.199711D+01 -0.732822D+00  0.150830D+02
      2   0.343335D+01 -0.704658D+01 -0.557449D+00 -0.244262D+01 -0.408903D+01
      3  -0.174426D+01  0.984280D+01 -0.564517D+00 -0.170466D+01 -0.249412D+01
                71            72            73            74            75 
      1   0.567692D+01 -0.297445D+01 -0.608883D+01  0.191096D+01 -0.107769D+00
      2  -0.890866D+01  0.201624D+01  0.158241D+02 -0.157881D+01 -0.471897D+00
      3  -0.901046D+00 -0.634685D+01 -0.414583D+02  0.129638D+02  0.609862D+00
                76            77            78            79            80 
      1   0.152606D+01  0.534728D+01  0.219980D+00  0.271194D+01  0.140482D+02
      2   0.369540D+00 -0.801634D-01  0.195895D+01 -0.988498D+01  0.213918D+01
      3   0.336764D+02 -0.114732D+02  0.108411D+01 -0.181042D+01 -0.149966D+01
                81            82            83            84            85 
      1  -0.248458D+01 -0.768731D+00 -0.126123D+01  0.783574D+00 -0.145208D+01
      2   0.180428D+01 -0.183045D+02  0.647221D+00  0.346216D+00  0.831755D+01
      3  -0.444239D+01  0.178889D+02 -0.414413D+02  0.525288D+01 -0.122335D+02
                86            87            88            89            90 
      1  -0.103794D+01 -0.117042D+01 -0.520052D+01  0.353987D+01 -0.887278D+00
      2   0.395710D+00  0.206429D+01 -0.180084D+02  0.953111D+01 -0.545902D+00
      3   0.595021D+01 -0.792661D+00  0.108732D+01  0.256888D+01 -0.207023D+01
                91            92            93            94            95 
      1   0.339297D+01  0.210325D+01  0.516054D+00  0.498893D+01 -0.126663D+01
      2  -0.429008D+01  0.685722D+00 -0.205918D+01 -0.462542D+01 -0.514615D+00
      3   0.109890D+02  0.237881D+01  0.629348D+00  0.289191D+02 -0.155164D+02
                96            97            98            99           100 
      1  -0.519716D+01  0.351668D+01  0.186226D+01  0.160866D+01  0.105305D+01
      2  -0.101574D+02 -0.371813D+02 -0.887328D+01 -0.223634D+01  0.422274D+01
      3  -0.219046D+01  0.873862D+01 -0.128511D+01  0.163855D+02 -0.399624D+01
               101           102           103           104           105 
      1  -0.494452D+01  0.313670D+01  0.675220D-01 -0.123544D+01 -0.503702D+01
      2  -0.370984D+01  0.130264D+02 -0.136357D+01 -0.191303D+01 -0.635187D+01
      3  -0.397344D+02  0.231743D+01 -0.248420D+01 -0.789114D+01  0.169110D+01
               106           107           108           109           110 
      1   0.121224D+01 -0.152205D+01  0.152048D+00  0.158057D+01  0.175702D+01
      2  -0.675227D+01  0.280307D+01 -0.552977D+00  0.175955D+01  0.468599D+01
      3   0.734475D+00  0.449984D+01 -0.339425D+01  0.379749D+02  0.475454D+01
               111           112           113           114           115 
      1  -0.125128D+01  0.126777D+01 -0.651551D+00  0.650338D+01 -0.111610D+02
      2  -0.162041D+01  0.591590D+01  0.487535D+01  0.383418D+02 -0.170607D+02
      3  -0.707469D+01  0.200196D+02 -0.258338D+02 -0.686408D+01 -0.647034D+01
               116           117           118           119           120 
      1   0.853223D+01 -0.241279D+01 -0.152703D+01  0.470452D+00  0.164995D+01
      2   0.296890D+02 -0.748312D+01 -0.246972D+01  0.578803D+00  0.149899D+01
      3  -0.510296D+01 -0.298130D+02 -0.631703D+01 -0.441806D+01  0.872553D+00
               121           122           123           124           125 
      1  -0.731773D-01 -0.190097D+00 -0.284690D+01 -0.245748D+01  0.124263D+01
      2  -0.177797D-01 -0.224975D+00 -0.282438D+01 -0.275181D+01  0.247317D+00
      3  -0.586406D+01  0.128458D+02 -0.107710D+00  0.200470D+01 -0.863024D+00
               126           127           128           129           130 
      1   0.339259D+00  0.128711D+00  0.203005D+00 -0.143753D+01  0.295863D+00
      2   0.614194D+00 -0.894217D+00 -0.103376D+01  0.192726D+01 -0.105188D+01
      3   0.794154D+00 -0.416869D+01 -0.393871D+01  0.782292D+00 -0.231818D+01
               131           132           133           134           135 
      1  -0.178942D+00 -0.376485D+01  0.378150D-03  0.186646D+01  0.419387D+00
      2  -0.269232D+01  0.356936D+01 -0.187260D+01 -0.178276D+00 -0.310119D+00
      3  -0.187487D+02  0.213000D+01  0.980026D+00  0.230842D+01  0.412554D+00
               136           137           138           139           140 
      1   0.343113D+00  0.130530D+00 -0.140784D+01 -0.464015D-01 -0.485930D+00
      2   0.941751D+00  0.953805D+00  0.200595D+00  0.611351D+00  0.190630D+01
      3   0.789659D+01  0.560148D+01 -0.130174D+01  0.629366D+01  0.185177D+02
               141           142           143           144           145 
      1  -0.424611D+01  0.636362D+00  0.296096D+01  0.139992D+00  0.100157D+01
      2  -0.384986D+00 -0.275806D+00  0.725666D-01 -0.201755D+00  0.398656D+00
      3  -0.220816D+01 -0.164068D+01 -0.287057D+01 -0.426041D+00  0.560343D+01
               146           147           148           149           150 
      1   0.109036D+01 -0.170506D+01  0.724725D+00  0.277085D+01 -0.523426D+01
      2   0.501763D-02  0.881545D+00  0.266990D+00 -0.132771D+00  0.119747D+01
      3   0.287834D+01 -0.867275D+00  0.546744D+01  0.392819D+01 -0.643900D+00
               151           152           153           154           155 
      1   0.130129D+01  0.227731D+01  0.223885D+00  0.111948D+00 -0.452341D+00
      2  -0.127863D+01  0.101781D+01 -0.537084D+00 -0.452215D-01 -0.200180D+00
      3  -0.792366D+00 -0.121502D+01 -0.790849D+00 -0.101147D+02  0.128993D+01
               156           157           158           159           160 
      1   0.246203D+01 -0.171138D+01  0.157276D+01 -0.345355D+01 -0.270348D+01
      2   0.186562D+01 -0.785162D+00  0.536739D+00 -0.260942D+01 -0.231170D+01
      3   0.443956D+00  0.365562D+01  0.749025D+00  0.266707D+00  0.129782D+01
               161           162           163           164           165 
      1   0.997680D+00  0.673590D+00  0.242975D+01  0.118213D+01 -0.653619D+00
      2   0.213627D-02  0.354007D+00 -0.130183D+01 -0.254147D+00 -0.269298D+00
      3   0.196921D+00  0.954516D+00 -0.308453D+01 -0.108254D+01 -0.172618D+01
               166           167           168           169           170 
      1  -0.141433D+00 -0.183055D+01 -0.310881D+01 -0.564705D-01  0.265424D+01
      2   0.766224D+00 -0.195339D+00  0.143658D+01 -0.261591D+01 -0.134116D+01
      3   0.383979D+01 -0.501148D+01  0.403426D-01 -0.428814D+01 -0.556666D+00
               171           172           173           174           175 
      1   0.672472D+00  0.113278D+01 -0.788774D+00  0.968558D+00 -0.384383D+00
      2   0.318942D+00 -0.331372D-01 -0.439213D+00  0.391787D+01 -0.160871D-01
      3   0.358391D-01  0.826412D+01 -0.692946D+01 -0.895128D+00 -0.224660D+01
               176           177           178           179           180 
      1   0.286013D+01 -0.234692D+01  0.163935D+00  0.142187D+01  0.325623D+00
      2   0.292134D+00 -0.363125D+01  0.260641D+01 -0.130204D+01 -0.786949D+00
      3   0.182219D+02  0.607030D+00 -0.166503D+01  0.126266D+01  0.979435D+00
               181           182           183           184           185 
      1   0.232168D+01 -0.575844D+01 -0.190714D+01 -0.364018D+01  0.695152D+01
      2  -0.134202D+02 -0.222840D+01  0.177207D+02 -0.412367D+01  0.547153D+01
      3  -0.183902D+01 -0.127651D+02  0.212624D+01 -0.122481D+02  0.144273D+02
               186           187           188           189           190 
      1  -0.502315D+01  0.993024D+00 -0.265338D+00 -0.962937D+01 -0.429815D+00
      2   0.174021D+02  0.136562D+02  0.114576D+02  0.866725D+01  0.938933D+01
      3   0.147113D+01  0.703223D+01  0.217234D+00 -0.135615D+02 -0.885205D+01
               191           192           193           194           195 
      1  -0.721570D+01 -0.353983D+01 -0.835779D+01  0.143549D+01 -0.134650D+01
      2   0.550488D+01  0.473673D+01  0.183099D+02 -0.745920D-01  0.175426D+02
      3  -0.728421D+01 -0.676070D+01 -0.416449D+01  0.452276D+00  0.438896D+01
               196           197           198           199           200 
      1   0.135808D+01 -0.103653D+01  0.917495D+00 -0.152588D+01 -0.852463D+00
      2  -0.532190D+01  0.940881D+01 -0.133468D+02 -0.408338D+01 -0.812097D+00
      3  -0.635776D+01  0.167158D+02 -0.119465D+02 -0.213372D+02 -0.111806D+02
               201           202           203           204           205 
      1   0.414340D+00 -0.774166D+00 -0.687283D+00 -0.663123D+00  0.153767D+01
      2   0.953584D+01 -0.168847D+01 -0.125416D+01  0.250472D+01  0.802821D+01
      3   0.232512D+01 -0.121125D+02 -0.936255D+01  0.206771D+01  0.262449D+01
               206           207           208           209           210 
      1   0.294502D+00 -0.619926D-01  0.486821D+00  0.726349D-01 -0.120200D+01
      2  -0.108967D+01 -0.219191D+01 -0.549554D+01 -0.102710D+01 -0.278198D+01
      3   0.231557D+01  0.519309D+00  0.212152D+01  0.269246D+01  0.166651D+01
               211           212           213           214           215 
      1   0.594426D+00  0.205873D+00 -0.370194D+01  0.212235D+01  0.312935D+00
      2   0.473227D+01 -0.135942D+02 -0.179267D+02  0.924583D+01 -0.179998D+02
      3  -0.860659D+01  0.258318D+02  0.151308D+02 -0.599224D+01  0.178114D+02
               216           217           218           219           220 
      1  -0.433435D+01  0.370776D+00 -0.226795D+00 -0.740819D-01 -0.160215D+01
      2  -0.241047D+02  0.808315D+01 -0.260893D+01  0.123720D+01 -0.685324D+01
      3   0.189342D+02  0.117591D+01 -0.508544D+00  0.170981D+01 -0.898729D+01
               221           222           223           224           225 
      1   0.185712D+01 -0.419614D+01  0.413539D+01 -0.938014D+00  0.700399D+01
      2   0.998166D+01 -0.157923D+02  0.139114D+02 -0.169153D+02  0.310625D+02
      3   0.177571D+02 -0.102003D+02  0.800136D+01 -0.150503D+02  0.167598D+02
               226           227           228           229           230 
      1   0.127649D+01  0.271139D+01  0.125063D+01  0.174511D+01  0.371318D+01
      2  -0.557250D+01 -0.220974D+01 -0.962411D+01 -0.242982D+01 -0.618982D+01
      3   0.147649D+01  0.212607D+01  0.156454D+00  0.309509D+01  0.324241D+01
               231           232           233           234           235 
      1   0.298951D+01  0.741438D+00  0.599030D+01  0.670024D+01 -0.291208D+01
      2  -0.124608D+02 -0.586706D+01 -0.712754D+01 -0.278262D+02 -0.157136D+01
      3   0.410825D+01 -0.382673D-01  0.387740D+01  0.429149D+01 -0.691652D+01
               236           237           238           239           240 
      1   0.302017D+01  0.119256D+01  0.152953D+01 -0.114704D+02 -0.149020D+01
      2   0.264127D+01 -0.280376D+01  0.269232D+01 -0.578241D+01  0.406200D+01
      3   0.584882D+01 -0.686180D+00  0.505575D+01 -0.211889D+02  0.369322D+01
               241           242           243           244           245 
      1   0.462962D+00  0.940066D+00 -0.144510D+01 -0.184343D+01 -0.286635D+01
      2  -0.173572D+01  0.121636D+01 -0.148427D+01  0.113524D+02  0.367543D+00
      3   0.860985D+00  0.810213D+00 -0.220880D+01 -0.205765D+01 -0.740026D+01
               246           247           248           249           250 
      1  -0.393102D+00 -0.211040D+01 -0.160732D+01 -0.343424D-01 -0.396503D+00
      2   0.645356D+01  0.153921D+01 -0.110457D+00 -0.100355D+01  0.194127D+01
      3   0.165439D+01 -0.325038D+01 -0.334748D+01  0.141134D+01 -0.986472D+00
               251           252           253           254           255 
      1   0.957395D+00  0.794509D+00 -0.394047D+01  0.526527D+01  0.239746D+01
      2  -0.614670D+00 -0.167765D+01  0.834549D+01 -0.250698D+01  0.110929D+02
      3   0.127291D+01  0.731605D+00  0.916089D+01 -0.952959D+01  0.420672D+01
               256           257           258           259           260 
      1   0.440339D+01 -0.601770D+01 -0.114133D+01 -0.142237D+01  0.922360D+01
      2  -0.139039D+02  0.746753D+01 -0.142835D+02  0.188862D+02 -0.969966D+01
      3  -0.187213D+01  0.183205D+02 -0.938681D+01 -0.349826D+01 -0.172851D+02
               261           262           263           264           265 
      1  -0.862526D+00  0.256204D+01  0.370837D+00  0.187994D+01 -0.215681D+01
      2   0.330355D+02 -0.444072D+01 -0.554407D+01 -0.399907D+01 -0.287189D+01
      3   0.901262D+01  0.135467D+01  0.417612D+01  0.472183D+01  0.209585D+01
               266           267           268           269           270 
      1   0.389034D+01 -0.582562D+01  0.919082D+00  0.124335D+01  0.662370D+01
      2  -0.202184D+01 -0.427528D+01 -0.813365D+01 -0.526632D+01 -0.148358D+02
      3  -0.176436D+02  0.347940D+01  0.862388D+01  0.822553D+01  0.428162D+01
               271           272           273           274           275 
      1  -0.630256D+00  0.210895D+00 -0.159575D+01 -0.925136D+00 -0.797817D+00
      2   0.381424D+01  0.366348D+01  0.496862D+01  0.208769D+01  0.523888D+01
      3  -0.349643D+01 -0.447739D+01 -0.274812D+01 -0.260746D+01 -0.869215D+01
               276           277           278           279 
      1  -0.264130D+01 -0.194855D+01 -0.322581D+00 -0.609429D+01
      2   0.596844D+01  0.781845D+01  0.114991D+02  0.192685D+02
      3  -0.478933D+01 -0.547375D+01 -0.119210D+02 -0.112187D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.132003D+03 -0.396159D+02 -0.450793D+01  0.997357D+01 -0.307608D+02
      2  -0.738152D+02  0.254780D+02  0.119127D+01 -0.129125D+02  0.320157D+02
      3  -0.581879D+02  0.141379D+02  0.331665D+01  0.293892D+01 -0.125483D+01
      4  -0.169606D+02  0.321118D+02 -0.133800D+01 -0.317444D+02 -0.645058D+02
      5   0.983882D+00 -0.736840D+00  0.662878D+01  0.789106D+01  0.571491D+01
      6  -0.432461D-01  0.144129D+01  0.489648D+01  0.559016D+01 -0.370457D+01
                 6             7             8             9            10 
      1   0.429840D+01 -0.225536D+01  0.801321D+01  0.265496D+02  0.199290D+01
      2  -0.536919D+01  0.346439D+01 -0.682892D+01 -0.243148D+02 -0.119211D+01
      3   0.107079D+01 -0.120903D+01 -0.118429D+01 -0.223480D+01 -0.800793D+00
      4   0.906314D+01  0.996306D+01  0.231017D+01 -0.410962D+01  0.323695D+02
      5  -0.158672D+01  0.526862D+02 -0.101112D+02 -0.422754D+01  0.425042D+01
      6  -0.550237D+01 -0.266569D+00  0.449921D+01  0.168228D+01 -0.579426D+01
                11            12            13            14            15 
      1   0.627650D+02 -0.448834D+01 -0.800602D+02  0.364025D+02  0.175704D+01
      2  -0.426249D+02  0.543519D+00  0.549993D+02 -0.296030D+02 -0.111690D+01
      3  -0.201402D+02  0.394482D+01  0.250609D+02 -0.679957D+01 -0.640135D+00
      4   0.412307D+02 -0.850377D+01  0.357974D+02  0.288188D+02 -0.879480D+01
      5  -0.983817D+01  0.181724D+02  0.365543D+01 -0.698471D+01 -0.107568D+02
      6   0.315495D+01 -0.124119D+02 -0.619798D+01  0.295429D+01  0.549207D+01
                16            17            18            19            20 
      1   0.119449D+02 -0.126647D+02  0.134840D+01 -0.109511D+03  0.148782D+02
      2  -0.109289D+02  0.980603D+01 -0.727722D+01  0.503200D+02 -0.606799D+01
      3  -0.101601D+01  0.285871D+01  0.592882D+01  0.591913D+02 -0.881016D+01
      4  -0.748221D+01 -0.937577D+01 -0.158365D+02  0.184465D+02 -0.360072D+02
      5   0.277427D+02 -0.172492D+02  0.250744D+01  0.713436D+01  0.668187D+01
      6  -0.165406D+02  0.110863D+02  0.287862D+01  0.538349D+01  0.101065D+01
                21            22            23            24            25 
      1   0.616342D+01  0.892136D+02 -0.140524D+02 -0.663552D+01  0.150584D+01
      2  -0.304993D+01 -0.573502D+02 -0.402658D+01  0.626255D+01  0.148174D+01
      3  -0.311350D+01 -0.318634D+02  0.180790D+02  0.372973D+00 -0.298758D+01
      4   0.584615D+01 -0.959641D+01  0.268555D+02  0.250903D+01  0.309231D+01
      5   0.309596D+01 -0.321014D+01  0.369064D+01  0.118118D+02  0.547150D+01
      6  -0.299073D+00  0.204474D+01  0.583507D+01  0.645765D+01  0.410463D+01
                26            27            28            29            30 
      1   0.231962D+01 -0.175234D+02  0.900513D+02 -0.598466D+01 -0.851191D+01
      2   0.309257D+01  0.998188D+00 -0.392445D+02  0.231296D+01  0.281296D+01
      3  -0.541219D+01  0.165252D+02 -0.508068D+02  0.367170D+01  0.569895D+01
      4   0.863799D+01  0.265499D+02 -0.187507D+02  0.509153D+01  0.413404D+00
      5   0.275776D+02 -0.395688D+01 -0.557342D+01 -0.172029D+01 -0.826636D+01
      6   0.160065D+02 -0.175062D+01 -0.368335D+01  0.150674D+01  0.132993D+01
                31            32            33            34            35 
      1   0.931870D+02 -0.338308D+02 -0.569262D+01 -0.190649D+02  0.328089D+01
      2  -0.444385D+02  0.289523D+02  0.924156D+00  0.867229D+01 -0.267604D+01
      3  -0.487486D+02  0.487856D+01  0.476846D+01  0.103926D+02 -0.604851D+00
      4  -0.182502D+02  0.133620D+02 -0.232436D+00  0.387126D+01 -0.523992D+00
      5   0.426278D+01 -0.258526D+01  0.250509D+00  0.947473D-01  0.294592D+01
      6  -0.302145D+01  0.609522D+00 -0.251211D+01  0.423104D+01  0.451050D+01
                36            37            38            39            40 
      1  -0.711435D+01 -0.884299D+02  0.520446D+02  0.214333D+00 -0.883572D+02
      2  -0.161878D+01  0.482606D+02 -0.333577D+02 -0.110638D+01  0.476286D+02
      3   0.873313D+01  0.401693D+02 -0.186869D+02  0.892047D+00  0.407285D+02
      4   0.290306D+01  0.556904D+02 -0.426814D+01 -0.311823D+01 -0.709665D+01
      5   0.232875D+01 -0.519714D+00 -0.146853D+01  0.377618D+00 -0.116105D+01
      6   0.873281D+00 -0.164658D+01 -0.799896D+00  0.157290D+01  0.448344D+01
                41            42            43            44            45 
      1   0.915442D+00  0.679041D+01  0.147220D+02 -0.658354D+01 -0.119449D+02
      2   0.307360D+01 -0.487915D+01 -0.740548D+01  0.386222D+01 -0.538330D+00
      3  -0.398905D+01 -0.191126D+01 -0.731652D+01  0.272132D+01  0.124832D+02
      4  -0.399509D+01  0.150956D+01 -0.491867D+01  0.105072D+01  0.122329D+01
      5   0.286108D+01  0.694384D-01 -0.427194D+00 -0.122537D+01  0.151488D+01
      6  -0.276731D+01 -0.288678D+00  0.217008D+01  0.336091D+01 -0.986842D-01
                46            47            48            49            50 
      1  -0.150726D+01 -0.581729D+02  0.248520D+01  0.240886D+01  0.231502D+02
      2  -0.308814D+01  0.379991D+02  0.213225D-01 -0.574017D+01 -0.229526D+02
      3   0.459540D+01  0.201738D+02 -0.250652D+01  0.333130D+01 -0.197585D+00
      4  -0.397820D+02 -0.338050D+02  0.546293D+01  0.333325D+02 -0.179457D+02
      5  -0.223280D+01  0.620276D+01 -0.141620D+02 -0.202644D+01 -0.173882D+00
      6   0.545971D+01  0.205240D+01  0.101145D+02  0.834258D-01  0.567282D+01
                51            52            53            54            55 
      1  -0.515362D+01 -0.246650D+01 -0.178877D+00 -0.227650D+02  0.181692D+02
      2   0.551909D+01  0.270101D+01  0.526870D+01  0.701124D+01 -0.134469D+02
      3  -0.365475D+00 -0.234513D+00 -0.508982D+01  0.157538D+02 -0.472228D+01
      4  -0.138226D+01 -0.557142D+00  0.472954D+01 -0.120069D+02  0.748087D+01
      5  -0.230827D+01  0.979807D-01 -0.137501D+02  0.755353D+01  0.719175D+01
      6   0.674635D+01  0.894852D+00  0.206211D+02 -0.453647D+01  0.125506D+01
                56            57            58            59            60 
      1  -0.554788D+02 -0.990334D+00  0.146643D+02 -0.395517D+00 -0.390434D+01
      2   0.477296D+02  0.538882D+00 -0.144818D+02 -0.999511D+01  0.506521D+01
      3   0.774922D+01  0.451453D+00 -0.182485D+00  0.103906D+02 -0.116087D+01
      4  -0.771589D+01  0.735650D+00  0.222878D+01 -0.110976D+02  0.242798D+01
      5   0.380486D+01 -0.183593D+01 -0.203669D+01  0.215369D+01  0.163886D+01
      6   0.727694D+01  0.113036D+02  0.129121D+01  0.800066D+01  0.943445D+01
                61            62            63            64            65 
      1  -0.593187D+01  0.990484D+00 -0.250176D+02 -0.102770D+02  0.759891D+02
      2   0.549897D+01  0.292366D+01  0.144371D+02  0.319965D+01 -0.648686D+02
      3   0.432897D+00 -0.391414D+01  0.105805D+02  0.707732D+01 -0.111204D+02
      4   0.669499D+00  0.546908D+01  0.603968D+01  0.495307D+01 -0.149406D+02
      5   0.501683D+01  0.508329D+00  0.243596D+01 -0.909014D+00 -0.523645D+01
      6   0.547732D+01  0.270270D+02 -0.392491D+01 -0.321361D+01 -0.147471D+01
                66            67            68            69            70 
      1  -0.461343D+01 -0.245208D+02  0.365705D+02 -0.624682D+01  0.106978D+02
      2   0.350704D+01  0.277454D+02 -0.400742D+02  0.298465D+01 -0.818538D+01
      3   0.110640D+01 -0.322467D+01  0.350369D+01  0.326217D+01 -0.251240D+01
      4   0.141949D+00  0.107621D+02  0.111072D+02 -0.323672D+01 -0.312242D+01
      5   0.821138D+01  0.192893D+01 -0.596637D+01 -0.666135D+01  0.252171D+02
      6  -0.135581D+02 -0.732418D+01  0.110679D+01  0.422429D+01 -0.204782D+02
                71            72            73            74            75 
      1  -0.171878D+02 -0.134719D+02 -0.154546D+01  0.721110D+01  0.157377D+01
      2   0.141904D+02  0.342198D+01 -0.113681D+02 -0.101778D+02  0.245295D+01
      3   0.299734D+01  0.100499D+02  0.129136D+02  0.296669D+01 -0.402672D+01
      4  -0.432459D+00 -0.109540D+02  0.206639D+02  0.982596D+01 -0.207754D+01
      5  -0.752760D+01 -0.763755D+00 -0.696035D+01 -0.129619D+01  0.273587D+01
      6   0.159640D+02  0.644228D+01  0.211688D+01 -0.283877D+01 -0.293463D+01
                76            77            78            79            80 
      1   0.302889D+02 -0.723052D+02  0.435676D+01  0.106215D+02  0.487306D+01
      2  -0.211799D+02  0.714360D+02 -0.579218D+01 -0.189878D+01 -0.647354D+01
      3  -0.910900D+01  0.869190D+00  0.143542D+01 -0.872267D+01  0.160047D+01
      4  -0.413199D+02 -0.939011D+00  0.193499D+01  0.558905D+01 -0.248223D+01
      5   0.524808D+01  0.409383D+01  0.283997D+01  0.291792D+02 -0.252744D+01
      6   0.443508D+01  0.284872D+01 -0.277120D+01 -0.731759D+01  0.465974D+01
                81            82            83            84            85 
      1  -0.282670D+01  0.583925D+02 -0.575937D+02  0.562957D+00  0.837657D+01
      2  -0.805617D+01 -0.334573D+02  0.440943D+02 -0.257014D+01 -0.178852D+02
      3   0.108829D+02 -0.249352D+02  0.134995D+02  0.200719D+01  0.950860D+01
      4   0.383687D+01 -0.491857D+02  0.347338D+01  0.497100D+01  0.246870D+02
      5  -0.405806D+01  0.639027D+01  0.463828D+01 -0.288543D+01 -0.284250D+01
      6   0.324446D+01  0.348075D+01  0.338850D+01  0.693669D+00  0.114998D+01
                86            87            88            89            90 
      1   0.319613D+02 -0.104611D+01 -0.335186D+01  0.692128D+01 -0.794529D+01
      2  -0.359572D+02  0.494126D+01  0.112556D+01  0.334512D+00 -0.623365D+01
      3   0.399583D+01 -0.389515D+01  0.222630D+01 -0.725579D+01  0.141789D+02
      4  -0.484289D+01 -0.538489D+00  0.760192D+01  0.248679D+01  0.408354D+01
      5   0.382267D-01  0.594304D+01  0.380067D+01  0.100633D+02 -0.382836D+00
      6   0.786282D+00  0.360833D+01  0.297946D+01  0.678790D+01 -0.244921D+01
                91            92            93            94            95 
      1   0.182738D+02  0.927031D+01 -0.521413D+01 -0.156419D+01 -0.132868D+02
      2  -0.120654D+02 -0.310622D+01 -0.520573D+01  0.118255D+02  0.256182D+01
      3  -0.620839D+01 -0.616408D+01  0.104199D+02 -0.102613D+02  0.107249D+02
      4  -0.476550D+01 -0.171284D+02 -0.272092D+01 -0.312306D+02  0.305198D+02
      5   0.381645D+01 -0.283999D+01 -0.130241D+02  0.502257D+01  0.521722D+01
      6  -0.420975D+01  0.318944D+01 -0.384351D+01  0.489714D+01 -0.489711D+01
                96            97            98            99           100 
      1  -0.526674D+01 -0.129158D+02 -0.367316D+01 -0.119232D+02  0.374290D+01
      2  -0.663304D+01  0.213856D+01 -0.196266D-02  0.908616D+01 -0.459906D+01
      3   0.118998D+02  0.107772D+02  0.367513D+01  0.283705D+01  0.856159D+00
      4   0.415617D+01 -0.368588D+01  0.123638D+01 -0.260293D+02  0.297796D+02
      5  -0.251255D+02 -0.531899D+02 -0.204969D+02  0.983106D+01 -0.239447D+01
      6  -0.400771D+01 -0.106760D+02 -0.527718D+01  0.337483D+01 -0.217149D+00
               101           102           103           104           105 
      1   0.369163D+02  0.968017D+00  0.942762D+01  0.105176D+02 -0.402367D+01
      2  -0.223054D+02  0.151193D+01 -0.190973D+01 -0.411402D+01  0.288094D+01
      3  -0.146110D+02 -0.247994D+01 -0.751789D+01 -0.640354D+01  0.114273D+01
      4   0.346985D+01 -0.160338D+00  0.343952D+02  0.140657D+02 -0.399553D+01
      5  -0.194807D+00  0.253308D+02 -0.572562D+01 -0.238250D+01 -0.110263D+02
      6  -0.203661D+01 -0.570986D+01 -0.149513D+01  0.122986D+00  0.896520D+01
               106           107           108           109           110 
      1  -0.154661D+00 -0.380129D+01  0.117068D+01 -0.691392D+02 -0.483859D+02
      2   0.145447D+01  0.315952D+01  0.211333D-01  0.421637D+02  0.251938D+02
      3  -0.129981D+01  0.641765D+00 -0.119181D+01  0.269755D+02  0.231921D+02
      4  -0.476160D+01 -0.288555D+00  0.658604D+01 -0.471197D+02  0.105720D+02
      5   0.793586D+01  0.517034D+01 -0.351163D+01  0.107160D+02  0.916404D+01
      6   0.252826D+01  0.368331D+01 -0.139728D+01  0.254439D+01 -0.176889D+01
               111           112           113           114           115 
      1   0.108483D+02 -0.572038D+02  0.607652D+01  0.187335D+02  0.994307D+01
      2  -0.673543D+01  0.277137D+02 -0.370965D+01 -0.887359D+01 -0.482787D+01
      3  -0.411285D+01  0.294901D+02 -0.236688D+01 -0.985987D+01 -0.511519D+01
      4   0.826856D+01 -0.188102D+02  0.233141D+02  0.995260D+01  0.107398D+02
      5  -0.849756D+01  0.141457D+02  0.955683D+01  0.739752D+02 -0.267823D+02
      6   0.144880D+01  0.698344D+00 -0.503134D+01 -0.204326D+02  0.120845D+02
               116           117           118           119           120 
      1   0.143854D+02 -0.611771D+00  0.431775D+02 -0.127813D+02 -0.251721D+01
      2  -0.751047D+01 -0.263755D+01 -0.165111D+02 -0.596818D+00  0.143558D+01
      3  -0.687493D+01  0.324932D+01 -0.266663D+02  0.133781D+02  0.108163D+01
      4   0.591536D+01  0.501228D+02 -0.310477D+02  0.257293D+02  0.279937D+00
      5   0.531667D+02 -0.155905D+02 -0.113229D+01 -0.943921D+00  0.296228D+01
      6  -0.162111D+02 -0.116716D+00  0.605836D+00  0.103417D+00 -0.158907D+01
               121           122           123           124           125 
      1  -0.131333D+02  0.649470D+01 -0.353152D+00 -0.401555D+01  0.402717D+00
      2  -0.601147D+01  0.144063D+02  0.266395D+00  0.313418D+01 -0.107093D+01
      3   0.191448D+02 -0.209011D+02  0.867570D-01  0.881364D+00  0.668215D+00
      4   0.386400D+02 -0.434444D+02  0.730519D+00 -0.852367D+00  0.165940D+01
      5  -0.299394D+01  0.286389D+01 -0.458000D+01 -0.189531D+01 -0.559522D+00
      6   0.143152D+01 -0.131019D+01  0.431860D+01  0.133296D+01  0.101831D+01
               126           127           128           129           130 
      1  -0.117054D+01  0.363051D+01  0.772968D+01 -0.587840D+00  0.537019D+01
      2   0.115035D+01  0.367063D+01  0.171557D+01 -0.263215D-01  0.778513D+01
      3   0.201942D-01 -0.730114D+01 -0.944525D+01  0.614162D+00 -0.131553D+02
      4  -0.116415D+01  0.230551D+02  0.231946D+02 -0.375202D+01  0.309223D+02
      5   0.464867D+00 -0.220831D+01 -0.268288D+01  0.390704D+01 -0.305395D+01
      6  -0.527279D+00 -0.166221D+01 -0.203672D+01  0.227182D+01 -0.262092D+01
               131           132           133           134           135 
      1  -0.109987D+02  0.134573D+01 -0.713434D+00  0.248132D+00 -0.935757D+00
      2   0.284173D+02 -0.230362D+01 -0.555844D+00 -0.254222D+01  0.225744D+01
      3  -0.174186D+02  0.957893D+00  0.126928D+01  0.229409D+01 -0.132168D+01
      4   0.538578D+02 -0.681888D+01 -0.502328D+01 -0.777459D+01  0.199955D+01
      5  -0.431988D+01  0.622576D+01  0.233939D+01  0.394864D+00 -0.124376D+01
      6  -0.556351D+01  0.669365D+01  0.265011D+01  0.256916D+01 -0.172239D+01
               136           137           138           139           140 
      1  -0.654948D+01 -0.152433D+02  0.251254D+01 -0.720122D+01 -0.464316D+02
      2   0.696578D+01  0.148803D+02 -0.177017D+01  0.707479D+01  0.559917D+02
      3  -0.416305D+00  0.363086D+00 -0.742370D+00  0.126428D+00 -0.956014D+01
      4  -0.481479D+00  0.480413D+01 -0.414373D-01  0.253949D+01 -0.129891D+02
      5   0.479582D+00  0.439027D+00  0.107485D+01  0.192824D+00  0.381536D+01
      6  -0.137145D+01 -0.292494D+01  0.201878D+01 -0.100014D+01 -0.913114D+01
               141           142           143           144           145 
      1   0.557693D+01  0.159821D+01  0.664855D+01 -0.151292D+01 -0.562053D+01
      2  -0.501519D+01 -0.130672D+01 -0.703071D+01  0.181715D+01  0.924090D+01
      3  -0.561745D+00 -0.291489D+00  0.382165D+00 -0.304234D+00 -0.362037D+01
      4   0.181704D+01  0.139719D+00  0.124448D+01  0.168839D+01  0.759857D+01
      5  -0.191578D+01  0.162734D+01  0.596176D+00 -0.444064D+00  0.126134D+00
      6   0.739881D+01  0.204709D+00  0.269481D+01 -0.150170D+01 -0.101972D+01
               146           147           148           149           150 
      1  -0.107567D+02  0.197954D+01 -0.784692D+01 -0.517909D+02  0.560407D+01
      2   0.165695D+02 -0.206283D+01  0.110124D+02  0.738519D+02 -0.660167D+01
      3  -0.581279D+01  0.832862D-01 -0.316551D+01 -0.220610D+02  0.997604D+00
      4   0.159217D+02 -0.161237D+01  0.961192D+01  0.209962D+02 -0.182304D+01
      5  -0.108162D+00  0.218028D+01 -0.270332D+00  0.108933D+01  0.110015D+01
      6  -0.222169D+01  0.247153D+01 -0.884254D+00 -0.595236D+01  0.833255D+01
               151           152           153           154           155 
      1   0.111746D+01  0.714768D+01 -0.149050D+01  0.268640D+01  0.497207D+01
      2  -0.177234D+01 -0.931414D+01  0.202617D+01  0.983802D+01 -0.155826D+02
      3   0.654878D+00  0.216646D+01 -0.535675D+00 -0.125244D+02  0.106106D+02
      4  -0.122303D+01 -0.370728D+01  0.169784D+01 -0.282204D+02  0.247281D+02
      5  -0.189797D+00  0.177583D+01 -0.913465D+00 -0.155363D+01  0.449897D+00
      6  -0.630252D+00  0.272198D+01 -0.157951D+01  0.246732D+01 -0.206397D+01
               156           157           158           159           160 
      1   0.790179D-01  0.949242D+01 -0.193969D+02 -0.267929D-01 -0.196309D+01
      2   0.474778D-01 -0.223274D+02  0.363020D+02  0.637264D-02  0.203779D+01
      3  -0.126496D+00  0.128350D+02 -0.169051D+02  0.204203D-01 -0.747004D-01
      4   0.646014D+00  0.282133D+02 -0.342262D+02  0.270411D+00 -0.267807D+00
      5   0.349859D+01 -0.622397D+00  0.314136D+00 -0.355605D+01 -0.318854D+00
      6  -0.316066D+01 -0.924451D+00  0.214240D+01  0.549465D+01  0.200982D+01
               161           162           163           164           165 
      1   0.155680D+01 -0.638144D-02 -0.450463D+01 -0.311781D+01 -0.327148D+01
      2  -0.204090D+01  0.116668D+01  0.291570D+01  0.246392D+01  0.256512D+01
      3   0.484102D+00 -0.116030D+01  0.158893D+01  0.653896D+00  0.706355D+00
      4   0.104385D+01 -0.150081D+01 -0.136613D+01  0.457915D+01 -0.369826D+01
      5  -0.159485D+01  0.580827D+00 -0.970608D+01 -0.447377D+01  0.123721D+01
      6   0.202381D+01 -0.879428D+00 -0.445458D+01 -0.250609D+01  0.284820D+00
               166           167           168           169           170 
      1  -0.486619D+01 -0.168472D+02  0.213589D+01 -0.457380D+01 -0.697978D+00
      2   0.612916D+01  0.196522D+02 -0.954005D+00  0.305376D+01 -0.235788D+00
      3  -0.126298D+01 -0.280504D+01 -0.118188D+01  0.152005D+01  0.933766D+00
      4   0.102902D+02  0.158997D+02 -0.253962D+01 -0.575325D+01 -0.370442D+01
      5  -0.342489D+01 -0.220650D+01  0.305339D+01  0.346341D+00 -0.869955D+00
      6  -0.343336D+01 -0.644080D+01  0.516072D+01  0.922738D+00  0.184568D+01
               171           172           173           174           175 
      1  -0.292500D+01  0.144690D+02 -0.129215D+02 -0.778346D+00 -0.187154D+02
      2   0.253842D+01 -0.223050D+01  0.361719D+01  0.950265D+00  0.543407D+01
      3   0.386580D+00 -0.122385D+02  0.930435D+01 -0.171920D+00  0.132814D+02
      4   0.590608D+00 -0.222089D+02  0.197181D+02  0.254661D+01  0.251466D+02
      5  -0.147556D+01 -0.393673D+01  0.341755D+01  0.847494D+01  0.611822D+01
      6  -0.156040D+01  0.376906D+01 -0.270204D+01 -0.492460D+00 -0.395676D+01
               176           177           178           179           180 
      1   0.582415D+01  0.481760D+00 -0.661655D-01  0.103738D+01  0.289009D+01
      2   0.950262D+01  0.151556D+00  0.112606D+01 -0.115964D+01 -0.158332D+01
      3  -0.153268D+02 -0.633317D+00 -0.105990D+01  0.122255D+00 -0.130677D+01
      4  -0.412187D+02 -0.385853D+01  0.341710D+01 -0.282258D+01 -0.476522D+01
      5  -0.486402D+01 -0.790735D+01  0.110112D+02 -0.424259D+01 -0.353020D+01
      6   0.819871D+01  0.417368D+01 -0.204526D+01  0.584959D+01  0.187950D+01
               181           182           183           184           185 
      1  -0.839034D+02 -0.147200D+02  0.300929D+02 -0.923329D+01  0.225752D+02
      2   0.452697D+02  0.135725D+02 -0.407568D+01  0.379993D+01 -0.162436D+02
      3   0.386337D+02  0.114749D+01 -0.260172D+02  0.543336D+01 -0.633163D+01
      4  -0.164266D+02  0.137951D+02  0.510556D+01  0.192174D+02 -0.168439D+02
      5   0.394504D+02  0.697899D+01  0.138324D+02 -0.217018D+01 -0.572402D+01
      6   0.360568D+01 -0.856362D+01 -0.137323D+00 -0.950440D+01  0.100677D+02
               186           187           188           189           190 
      1   0.169304D+02  0.111023D+02  0.125775D+02  0.228991D+02 -0.202076D+02
      2   0.952098D+01  0.759582D+01  0.481587D+01 -0.177549D+01  0.213769D+02
      3  -0.264514D+02 -0.186981D+02 -0.173934D+02 -0.211236D+02 -0.116931D+01
      4   0.445163D+00 -0.582218D+01  0.325063D+00  0.273375D+02  0.163347D+02
      5   0.326423D+02  0.292862D+02  0.211643D+02 -0.825011D+01 -0.320442D+02
      6   0.274210D+01  0.657054D+01  0.238880D+01 -0.180526D+02  0.521862D+01
               191           192           193           194           195 
      1   0.677740D+01 -0.127659D+02  0.266037D+02  0.338899D+01  0.143502D+02
      2  -0.440313D+01  0.172221D+02 -0.288567D+02 -0.835361D+01 -0.176788D+02
      3  -0.237426D+01 -0.445622D+01  0.225297D+01  0.496463D+01  0.332854D+01
      4  -0.498520D+00  0.874299D+01  0.340442D+01 -0.576435D+01 -0.621288D+00
      5   0.933685D+01 -0.140959D+02  0.255335D+02 -0.278984D+01  0.403768D+02
      6  -0.525217D+01  0.598167D+01  0.217583D+01  0.104991D+01 -0.930388D+00
               196           197           198           199           200 
      1  -0.326831D+02  0.112805D+02 -0.629295D+01  0.190991D+03  0.231901D+02
      2   0.257527D+02 -0.106902D+02  0.176387D+02 -0.101755D+03 -0.131223D+02
      3   0.693037D+01 -0.590328D+00 -0.113458D+02 -0.892361D+02 -0.100677D+02
      4   0.205480D+02 -0.197435D+02  0.269905D+02  0.225280D+02  0.165680D+02
      5  -0.162793D+02  0.251201D+02 -0.206713D+02 -0.204145D+02 -0.264329D+01
      6   0.101964D+02 -0.578282D+01  0.116456D+02 -0.281442D+00 -0.702354D+00
               201           202           203           204           205 
      1  -0.161345D+02  0.650195D+02  0.202515D+02 -0.597020D+01 -0.206727D+02
      2   0.979791D+01 -0.349984D+02 -0.102936D+02  0.375412D+01  0.125767D+02
      3   0.633655D+01 -0.300211D+02 -0.995794D+01  0.221608D+01  0.809602D+01
      4  -0.228085D+01  0.248700D+02  0.170735D+02 -0.366896D+01 -0.277158D+01
      5   0.192504D+02 -0.709573D+01 -0.382147D+01  0.534745D+01  0.246772D+02
      6  -0.509254D+00 -0.111990D+01 -0.641765D+00  0.180130D+01 -0.160924D+00
               206           207           208           209           210 
      1  -0.324980D+01  0.167258D+02 -0.680482D+00 -0.421030D+01 -0.114518D+02
      2   0.211457D+01 -0.100876D+02  0.190673D+00  0.225671D+01  0.481865D+01
      3   0.113523D+01 -0.663817D+01  0.489809D+00  0.195359D+01  0.663316D+01
      4  -0.350815D+01 -0.112492D+01 -0.106711D+01 -0.129455D+01  0.123647D+01
      5  -0.128775D+01 -0.586962D+01 -0.880760D+01  0.496603D+00 -0.289590D+01
      6   0.274661D+01 -0.472754D-01  0.220582D+01  0.105599D+01  0.214442D+01
               211           212           213           214           215 
      1  -0.162520D+02  0.727081D+00 -0.752263D+00 -0.299642D+02  0.572820D+00
      2   0.707073D+01  0.577314D+01  0.166607D+01  0.165335D+02  0.460495D+00
      3   0.918130D+01 -0.650022D+01 -0.913811D+00  0.134306D+02 -0.103331D+01
      4   0.261698D+02 -0.408367D+02 -0.274782D+02  0.192772D+02 -0.291282D+02
      5   0.157809D+02 -0.277700D+02 -0.354869D+02  0.296066D+02 -0.339828D+02
      6  -0.717385D+01  0.133720D+02  0.139811D+02 -0.964820D+01  0.143517D+02
               216           217           218           219           220 
      1  -0.768495D-01  0.172895D+02 -0.445783D+01  0.122873D+02 -0.147899D+02
      2  -0.597647D+01 -0.904544D+01  0.177086D+01 -0.555813D+01  0.565289D+01
      3   0.605332D+01 -0.824407D+01  0.268697D+01 -0.672919D+01  0.913698D+01
      4  -0.319828D+02 -0.501919D+01  0.286387D+01 -0.681262D+01  0.247767D+02
      5  -0.461343D+02  0.144075D+02 -0.633901D+01  0.443200D+01 -0.174785D+02
      6   0.154284D+02 -0.346281D+01  0.121735D+01  0.182846D+00  0.476545D+01
               221           222           223           224           225 
      1   0.752874D+01 -0.784201D+01  0.445407D+02 -0.112790D+02  0.112122D+02
      2   0.789530D+00  0.139401D+01 -0.242847D+02  0.384353D+01 -0.102262D+02
      3  -0.831827D+01  0.644800D+01 -0.202560D+02  0.743550D+01 -0.986070D+00
      4  -0.285174D+02  0.192565D+02 -0.251784D+02  0.252718D+02 -0.292498D+02
      5   0.203154D+02 -0.312470D+02  0.386698D+02 -0.320366D+02  0.607906D+02
      6  -0.654897D+01  0.102259D+02 -0.956712D+01  0.107086D+02 -0.130702D+02
               226           227           228           229           230 
      1  -0.808708D+00 -0.345909D+01 -0.184829D+02 -0.629729D+01 -0.105609D+02
      2  -0.324361D+01 -0.619191D+00 -0.126087D+01  0.426419D+01  0.953996D+00
      3   0.405231D+01  0.407828D+01  0.197438D+02  0.203309D+01  0.960693D+01
      4  -0.179299D+01 -0.376570D+01 -0.281411D+01 -0.171795D+01 -0.722687D+01
      5  -0.473985D+01 -0.547474D+00 -0.756363D+01  0.589238D+01 -0.735132D+01
      6   0.160739D+01  0.354843D+01  0.155055D+01  0.944750D+00  0.655140D+01
               231           232           233           234           235 
      1  -0.135034D+02 -0.115925D+02 -0.855957D+01 -0.351347D+02 -0.563401D+00
      2  -0.740244D+01  0.508001D+01 -0.388551D+01 -0.188363D+02  0.295611D+01
      3   0.209058D+02  0.651244D+01  0.124451D+02  0.539710D+02 -0.239271D+01
      4  -0.102636D+02 -0.145391D+01 -0.893803D+01 -0.126269D+02  0.315636D+01
      5  -0.223912D+02  0.730974D+01 -0.927636D+01 -0.437310D+02  0.158543D+01
      6   0.937654D+01  0.712879D+00  0.829278D+01  0.761032D+01 -0.217433D+01
               236           237           238           239           240 
      1   0.981083D+01 -0.538278D+01  0.129620D+02 -0.204851D+02  0.419100D+01
      2  -0.761610D+01 -0.567050D+00 -0.800846D+01  0.221605D+02 -0.287576D+00
      3  -0.219473D+01  0.594983D+01 -0.495356D+01 -0.167537D+01 -0.390342D+01
      4  -0.642397D+01  0.164807D+01  0.360687D+01  0.331409D+02 -0.719636D+01
      5  -0.765444D+00 -0.533561D+01 -0.864781D+01 -0.308217D+01  0.917935D+01
      6   0.596539D+01 -0.277119D+01  0.482238D+00 -0.215613D+02  0.862545D+01
               241           242           243           244           245 
      1   0.735598D+00  0.212185D+01 -0.753891D+01  0.116880D+03  0.107538D+02
      2  -0.208156D+01 -0.880312D+00  0.291132D+01 -0.679385D+02 -0.532895D+01
      3   0.134596D+01 -0.124154D+01  0.462760D+01 -0.489416D+02 -0.542485D+01
      4   0.148051D+01 -0.130681D+01  0.122110D+01  0.254430D+02  0.150729D+02
      5  -0.296196D+01  0.122270D+01  0.150701D+01 -0.665996D+02 -0.806088D+01
      6  -0.108709D+01  0.480639D+01 -0.870063D+00 -0.630601D+01 -0.527316D+01
               246           247           248           249           250 
      1  -0.228793D+02  0.825123D+01  0.765012D+01 -0.262984D+01 -0.785931D+01
      2   0.197219D+02 -0.375126D+01 -0.292346D+01  0.310487D+00  0.922959D+01
      3   0.315738D+01 -0.449998D+01 -0.472667D+01  0.231936D+01 -0.137028D+01
      4  -0.679333D+01  0.159961D+02  0.674384D+01 -0.453214D+01 -0.191161D+01
      5   0.312377D+02 -0.504134D+01 -0.611997D+01  0.130037D+00  0.203051D+02
      6   0.386733D+01 -0.503376D+01 -0.287065D+01  0.300981D+01  0.252032D+01
               251           252           253           254           255 
      1  -0.164485D+01  0.838804D+01  0.724571D+02 -0.225253D+02  0.322423D+02
      2   0.242207D+00 -0.954499D+01 -0.470938D+02  0.129342D+02 -0.242388D+02
      3   0.140264D+01  0.115695D+01 -0.253633D+02  0.959105D+01 -0.800357D+01
      4  -0.191373D+01  0.465911D+00 -0.262484D+02  0.208131D+02 -0.838123D+01
      5   0.104484D+01 -0.119406D+02  0.548319D+02 -0.123979D+02  0.381377D+02
      6   0.179590D+01 -0.318536D+00 -0.773145D+01  0.705957D+01 -0.424278D+01
               256           257           258           259           260 
      1  -0.376275D+02  0.117803D+02 -0.787975D+01  0.435893D+02 -0.562713D+01
      2   0.267264D+02 -0.715314D+01  0.139254D+02 -0.393241D+02  0.106968D+02
      3   0.109011D+02 -0.462711D+01 -0.604567D+01 -0.426520D+01 -0.506964D+01
      4   0.246539D+02 -0.348228D+02  0.218860D+02 -0.149246D+02  0.271939D+02
      5  -0.290848D+02  0.222636D+02 -0.330754D+02  0.642588D+02 -0.251438D+02
      6   0.953957D+01 -0.138620D+02  0.135168D+02 -0.530399D+01  0.156661D+02
               261           262           263           264           265 
      1   0.131593D+02  0.309929D+01  0.137434D+02  0.221401D+01  0.119650D+02
      2  -0.392634D+02  0.174454D+01 -0.649600D+01 -0.826737D+00 -0.185273D+01
      3   0.261041D+02 -0.484383D+01 -0.724742D+01 -0.138727D+01 -0.101122D+02
      4  -0.242944D+02  0.608034D+01  0.523188D+00 -0.986444D+01  0.126136D+02
      5   0.725889D+02 -0.495213D+01 -0.581928D+01 -0.890596D+01 -0.738326D+01
      6  -0.128383D+02 -0.997996D+00 -0.514290D+01 -0.773227D+01 -0.458269D+01
               266           267           268           269           270 
      1  -0.103268D+02 -0.481156D+01 -0.356972D+01 -0.414517D+01 -0.633961D+01
      2   0.281463D+02  0.418693D+01  0.164929D+01  0.855272D+00  0.582795D+01
      3  -0.178195D+02  0.624625D+00  0.192043D+01  0.328990D+01  0.511658D+00
      4   0.322012D+02 -0.100570D+02 -0.182980D+02 -0.210951D+02 -0.168602D+02
      5  -0.994527D+01 -0.103600D+02 -0.161860D+02 -0.151393D+02 -0.354534D+02
      6   0.455932D+01  0.789281D-02 -0.115223D+02 -0.603456D+01 -0.166414D+02
               271           272           273           274           275 
      1   0.956099D+01  0.698950D+01  0.764475D+01  0.365664D+01 -0.242100D+01
      2  -0.482763D+01 -0.312278D+01 -0.472988D+01  0.458181D+00  0.556427D+01
      3  -0.473335D+01 -0.386671D+01 -0.291487D+01 -0.411482D+01 -0.314327D+01
      4   0.170754D+02  0.148752D+02  0.128959D+02  0.131045D+02  0.214726D+02
      5   0.152883D+02  0.114742D+02  0.160004D+02  0.859714D+01  0.120990D+02
      6   0.854992D+01  0.633749D+01  0.725842D+01  0.622803D+01  0.113763D+02
               276           277           278           279 
      1  -0.146151D+01  0.705065D+01 -0.173276D+01 -0.198173D+01
      2   0.244273D+01 -0.637990D+01  0.270887D-01 -0.654656D+01
      3  -0.981225D+00 -0.670750D+00  0.170567D+01  0.852829D+01
      4   0.130464D+02  0.216185D+02  0.281709D+02  0.291689D+02
      5   0.134004D+02  0.267640D+02  0.264825D+02  0.420124D+02
      6   0.996735D+01  0.138657D+02  0.187326D+02  0.237952D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Sep 23 15:48:30 2021, MaxMem=  5368709120 cpu:           72339.5 elap:            9064.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32418 -19.30636 -19.26481 -10.43548 -10.36490
 Alpha  occ. eigenvalues --  -10.35429 -10.32374 -10.31318 -10.31304 -10.30974
 Alpha  occ. eigenvalues --  -10.30856 -10.30744 -10.30328 -10.30242 -10.30154
 Alpha  occ. eigenvalues --  -10.29776 -10.29501  -1.22077  -1.17874  -1.12845
 Alpha  occ. eigenvalues --   -0.98771  -0.94558  -0.90390  -0.88234  -0.84462
 Alpha  occ. eigenvalues --   -0.83776  -0.79361  -0.76954  -0.73776  -0.71222
 Alpha  occ. eigenvalues --   -0.70106  -0.68063  -0.62941  -0.61392  -0.60807
 Alpha  occ. eigenvalues --   -0.58631  -0.57182  -0.56533  -0.56294  -0.55239
 Alpha  occ. eigenvalues --   -0.53960  -0.53389  -0.52100  -0.50945  -0.50719
 Alpha  occ. eigenvalues --   -0.49537  -0.49056  -0.48182  -0.47229  -0.46706
 Alpha  occ. eigenvalues --   -0.44767  -0.44460  -0.43076  -0.42719  -0.41210
 Alpha  occ. eigenvalues --   -0.40760  -0.39581  -0.37347  -0.35671  -0.31379
 Alpha  occ. eigenvalues --   -0.27954
 Alpha virt. eigenvalues --    0.01327   0.03154   0.03672   0.04090   0.04409
 Alpha virt. eigenvalues --    0.04812   0.04856   0.05481   0.06020   0.06510
 Alpha virt. eigenvalues --    0.06742   0.07000   0.07594   0.08254   0.08415
 Alpha virt. eigenvalues --    0.09035   0.09153   0.09950   0.10629   0.10965
 Alpha virt. eigenvalues --    0.11594   0.11932   0.12040   0.12505   0.13233
 Alpha virt. eigenvalues --    0.13296   0.13725   0.13853   0.14224   0.14420
 Alpha virt. eigenvalues --    0.14617   0.15049   0.15121   0.15725   0.15932
 Alpha virt. eigenvalues --    0.16477   0.16761   0.17060   0.17743   0.17777
 Alpha virt. eigenvalues --    0.17979   0.18326   0.18676   0.18842   0.19343
 Alpha virt. eigenvalues --    0.19460   0.19904   0.20464   0.20611   0.20819
 Alpha virt. eigenvalues --    0.21645   0.22170   0.22412   0.22747   0.22869
 Alpha virt. eigenvalues --    0.23216   0.23563   0.24417   0.24921   0.25185
 Alpha virt. eigenvalues --    0.25314   0.26007   0.26454   0.26862   0.27047
 Alpha virt. eigenvalues --    0.27572   0.27798   0.28193   0.28622   0.28927
 Alpha virt. eigenvalues --    0.29158   0.29514   0.29628   0.30303   0.30474
 Alpha virt. eigenvalues --    0.31155   0.31289   0.31966   0.32063   0.32518
 Alpha virt. eigenvalues --    0.32746   0.32818   0.33122   0.33265   0.33930
 Alpha virt. eigenvalues --    0.34667   0.34987   0.35153   0.35444   0.35730
 Alpha virt. eigenvalues --    0.35872   0.36391   0.36718   0.37003   0.37176
 Alpha virt. eigenvalues --    0.37623   0.37911   0.38740   0.39030   0.39384
 Alpha virt. eigenvalues --    0.39786   0.40140   0.40711   0.41012   0.41320
 Alpha virt. eigenvalues --    0.41675   0.42052   0.42631   0.43156   0.43259
 Alpha virt. eigenvalues --    0.43630   0.44060   0.44634   0.44731   0.44981
 Alpha virt. eigenvalues --    0.45306   0.46545   0.46583   0.47340   0.47522
 Alpha virt. eigenvalues --    0.47950   0.48707   0.49340   0.49585   0.50147
 Alpha virt. eigenvalues --    0.51072   0.51479   0.51723   0.52476   0.53125
 Alpha virt. eigenvalues --    0.53304   0.54259   0.54534   0.54944   0.55411
 Alpha virt. eigenvalues --    0.55597   0.56699   0.57116   0.57243   0.57467
 Alpha virt. eigenvalues --    0.58204   0.58428   0.58853   0.59413   0.59888
 Alpha virt. eigenvalues --    0.60006   0.60449   0.60908   0.61288   0.61846
 Alpha virt. eigenvalues --    0.62241   0.62923   0.63268   0.63889   0.64285
 Alpha virt. eigenvalues --    0.64670   0.64900   0.65327   0.65793   0.66477
 Alpha virt. eigenvalues --    0.66590   0.67054   0.67649   0.67856   0.68019
 Alpha virt. eigenvalues --    0.68771   0.68921   0.69518   0.70036   0.70526
 Alpha virt. eigenvalues --    0.70808   0.71348   0.71801   0.72147   0.72234
 Alpha virt. eigenvalues --    0.73228   0.73294   0.74055   0.74388   0.74591
 Alpha virt. eigenvalues --    0.74763   0.75406   0.75840   0.75970   0.76586
 Alpha virt. eigenvalues --    0.76897   0.77198   0.78204   0.78598   0.79081
 Alpha virt. eigenvalues --    0.79540   0.80020   0.81881   0.82099   0.82297
 Alpha virt. eigenvalues --    0.83001   0.83113   0.83472   0.84155   0.84518
 Alpha virt. eigenvalues --    0.84551   0.84950   0.85317   0.85776   0.86540
 Alpha virt. eigenvalues --    0.86990   0.87432   0.87858   0.88373   0.88882
 Alpha virt. eigenvalues --    0.89621   0.89701   0.90789   0.91277   0.92499
 Alpha virt. eigenvalues --    0.92977   0.93503   0.93968   0.94819   0.95591
 Alpha virt. eigenvalues --    0.96706   0.96770   0.97297   0.98428   0.98901
 Alpha virt. eigenvalues --    0.99928   1.00451   1.01110   1.01714   1.02871
 Alpha virt. eigenvalues --    1.03076   1.04787   1.05836   1.05976   1.07033
 Alpha virt. eigenvalues --    1.07860   1.08783   1.09582   1.10041   1.12206
 Alpha virt. eigenvalues --    1.12751   1.14436   1.15733   1.16051   1.16908
 Alpha virt. eigenvalues --    1.18268   1.18846   1.19194   1.19828   1.21077
 Alpha virt. eigenvalues --    1.21586   1.22085   1.23934   1.24313   1.26030
 Alpha virt. eigenvalues --    1.26981   1.27124   1.28179   1.28830   1.29761
 Alpha virt. eigenvalues --    1.30367   1.32336   1.34447   1.35161   1.36163
 Alpha virt. eigenvalues --    1.36554   1.38153   1.38838   1.39420   1.39849
 Alpha virt. eigenvalues --    1.41933   1.42252   1.42487   1.43202   1.43475
 Alpha virt. eigenvalues --    1.44324   1.46479   1.47391   1.47764   1.48959
 Alpha virt. eigenvalues --    1.49458   1.51077   1.52435   1.53236   1.53472
 Alpha virt. eigenvalues --    1.53862   1.54657   1.55720   1.55739   1.57319
 Alpha virt. eigenvalues --    1.57789   1.59226   1.59646   1.60755   1.60919
 Alpha virt. eigenvalues --    1.62481   1.62727   1.63052   1.63380   1.64550
 Alpha virt. eigenvalues --    1.64670   1.66165   1.67280   1.67757   1.68120
 Alpha virt. eigenvalues --    1.68337   1.69523   1.70157   1.71615   1.71866
 Alpha virt. eigenvalues --    1.72915   1.73418   1.74084   1.74414   1.75274
 Alpha virt. eigenvalues --    1.76664   1.77110   1.77672   1.78475   1.78920
 Alpha virt. eigenvalues --    1.79879   1.81559   1.82427   1.82794   1.83980
 Alpha virt. eigenvalues --    1.84922   1.85371   1.86266   1.87747   1.88875
 Alpha virt. eigenvalues --    1.89995   1.90421   1.91313   1.92507   1.93713
 Alpha virt. eigenvalues --    1.95091   1.95419   1.96191   1.96716   1.97663
 Alpha virt. eigenvalues --    1.99268   1.99742   1.99954   2.01090   2.01980
 Alpha virt. eigenvalues --    2.02450   2.02814   2.04292   2.04537   2.05790
 Alpha virt. eigenvalues --    2.06147   2.07118   2.07683   2.08726   2.09285
 Alpha virt. eigenvalues --    2.09548   2.10524   2.11563   2.12400   2.14018
 Alpha virt. eigenvalues --    2.14222   2.15158   2.15503   2.17280   2.17535
 Alpha virt. eigenvalues --    2.18505   2.19261   2.19801   2.20694   2.21352
 Alpha virt. eigenvalues --    2.21811   2.22053   2.22975   2.24477   2.26270
 Alpha virt. eigenvalues --    2.27733   2.27991   2.30494   2.31255   2.33051
 Alpha virt. eigenvalues --    2.33999   2.34363   2.34927   2.36245   2.38212
 Alpha virt. eigenvalues --    2.39592   2.40499   2.40618   2.41769   2.43232
 Alpha virt. eigenvalues --    2.45089   2.46933   2.48620   2.49580   2.50300
 Alpha virt. eigenvalues --    2.51210   2.53147   2.56930   2.58219   2.58762
 Alpha virt. eigenvalues --    2.60315   2.64469   2.66176   2.68145   2.68807
 Alpha virt. eigenvalues --    2.70680   2.71292   2.74099   2.75961   2.76615
 Alpha virt. eigenvalues --    2.78680   2.79932   2.81802   2.83071   2.84828
 Alpha virt. eigenvalues --    2.86506   2.89951   2.91192   2.93943   2.96533
 Alpha virt. eigenvalues --    3.00999   3.02962   3.04846   3.09641   3.13525
 Alpha virt. eigenvalues --    3.18662   3.26245   3.28895   3.31440   3.43970
 Alpha virt. eigenvalues --    3.45467   3.46282   3.47885   3.49425   3.49716
 Alpha virt. eigenvalues --    3.51038   3.53260   3.55902   3.57288   3.60170
 Alpha virt. eigenvalues --    3.60694   3.62565   3.64116   3.68592   3.71074
 Alpha virt. eigenvalues --    3.79124   3.84663   3.89036   3.93546   4.01854
 Alpha virt. eigenvalues --    4.14564   4.51561   4.73137
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   21.731465  -4.408715  -5.015002   0.815838  -9.174976   1.591314
     2  C   -4.408715  25.021621   2.178546 -10.613578   1.347869  -7.735412
     3  C   -5.015002   2.178546  39.783961  -6.808979  -5.503120 -10.524923
     4  C    0.815838 -10.613578  -6.808979  42.855723 -11.131588  -5.727538
     5  C   -9.174976   1.347869  -5.503120 -11.131588  41.261010  -8.749109
     6  C    1.591314  -7.735412 -10.524923  -5.727538  -8.749109  43.886479
     7  C   -0.296221  -0.445044  -4.467259  -8.478137   1.426989  -0.729332
     8  C    0.129795   0.374784   0.324962   3.631058  -1.579056  -0.027827
     9  C    0.248716   0.436718  -0.296732  -0.569904   1.138505  -3.151786
    10  C   -0.246722  -0.770369  -0.697554   1.322555  -6.549919  -0.341881
    11  C    0.092332   0.061729  -0.719962  -1.069770   0.952826   0.313461
    12  O   -1.304283   1.006067   0.188107  -0.324589   0.244385  -0.083068
    13  C    0.105721  -0.017798  -0.210116   0.069947  -0.052266  -0.038785
    14  H    1.094031  -2.647339   0.115950   0.128200  -0.384385   0.635511
    15  H    0.834520  -0.298495  -3.413896   1.696159  -0.401914   0.210357
    16  H   -0.411277   1.843891   0.145779  -0.637633   1.851605  -3.843679
    17  H    0.193269   0.118782   1.062337   0.772711  -0.782177  -0.309834
    18  H    0.002841  -0.019055  -0.180139  -0.700123   0.147958   0.130839
    19  H    0.020384   0.163133  -0.074259  -0.621410   0.924823   0.511889
    20  H    0.000038   0.006730  -0.036196  -0.081440  -0.061170   0.032646
    21  C    0.005655  -0.009359   0.014332  -0.012084   0.061415  -0.094912
    22  C   -0.000630   0.003573   0.017540   0.070774  -0.076598  -0.106114
    23  H    0.827645  -0.314066  -0.319656   0.162127   0.002930  -0.073823
    24  H   -0.382730   0.144980   0.128399  -0.083752  -0.012062   0.099492
    25  H   -0.393610   0.156397   0.125107  -0.087853  -0.008066   0.101227
    26  H    0.002508  -0.001639  -0.008189  -0.024386   0.026219   0.000282
    27  H   -0.004132   0.018061  -0.000990  -0.096241   0.104656  -0.019772
    28  H    0.000522  -0.003207   0.004086   0.058078  -0.074619  -0.006223
    29  O   -0.000498   0.000967  -0.000179  -0.017100   0.025113   0.007226
    30  O   -0.000862  -0.003887   0.005625   0.002634  -0.033015  -0.009693
    31  H   -0.000375   0.001499   0.000370  -0.004768   0.002607  -0.002330
               7          8          9         10         11         12
     1  C   -0.296221   0.129795   0.248716  -0.246722   0.092332  -1.304283
     2  C   -0.445044   0.374784   0.436718  -0.770369   0.061729   1.006067
     3  C   -4.467259   0.324962  -0.296732  -0.697554  -0.719962   0.188107
     4  C   -8.478137   3.631058  -0.569904   1.322555  -1.069770  -0.324589
     5  C    1.426989  -1.579056   1.138505  -6.549919   0.952826   0.244385
     6  C   -0.729332  -0.027827  -3.151786  -0.341881   0.313461  -0.083068
     7  C   34.862376 -17.730684   5.701181  -4.786208   0.862380  -0.049661
     8  C  -17.730684  32.643919 -10.009244   1.948764  -2.334195  -0.042714
     9  C    5.701181 -10.009244  26.151613 -12.205072  -4.164019   0.017127
    10  C   -4.786208   1.948764 -12.205072  32.537652  -1.243755   0.004112
    11  C    0.862380  -2.334195  -4.164019  -1.243755  16.306804  -0.000517
    12  O   -0.049661  -0.042714   0.017127   0.004112  -0.000517   9.409503
    13  C    0.017106  -0.015013   0.024817  -0.021517   0.002007   0.127829
    14  H    0.027415   0.026495  -0.004273  -0.181695  -0.003666  -0.163305
    15  H    0.444978   0.124383   0.049700  -0.044520  -0.002906  -0.118395
    16  H   -0.041197  -0.013500   0.174413   0.157854   0.042475   0.002764
    17  H   -3.772911   2.366898  -0.518989   0.063755   0.013248  -0.007464
    18  H    2.222562  -3.900078   1.187461  -0.195661   0.215741   0.000092
    19  H   -0.239674   0.426318   0.926310  -3.826784  -0.108329  -0.000837
    20  H    0.109732  -0.036367   0.343937   0.059167  -1.570808  -0.000066
    21  C    0.125725  -0.278697   0.013561  -0.434377   0.299138   0.000019
    22  C   -0.163484  -0.231141   0.240869  -0.589078  -1.593687  -0.000036
    23  H   -0.010374  -0.005160   0.004186  -0.000661   0.000167  -0.510802
    24  H    0.006900   0.001074  -0.001315  -0.000079   0.000158   0.160267
    25  H    0.007714   0.001479  -0.001864  -0.000695   0.000060   0.160112
    26  H    0.025315  -0.019445  -0.511550   0.054691   0.484175   0.000001
    27  H    0.095756  -0.053802  -0.297046  -0.205078   0.257506   0.000105
    28  H   -0.048835  -0.011662   0.784784   0.071839  -0.653057  -0.000012
    29  O    0.027601  -0.015077   0.150351  -0.035546  -0.006873   0.000000
    30  O    0.025603  -0.016696   0.210386   0.033827  -0.538542   0.000006
    31  H    0.003964  -0.000499  -0.048670  -0.005271   0.180308   0.000008
              13         14         15         16         17         18
     1  C    0.105721   1.094031   0.834520  -0.411277   0.193269   0.002841
     2  C   -0.017798  -2.647339  -0.298495   1.843891   0.118782  -0.019055
     3  C   -0.210116   0.115950  -3.413896   0.145779   1.062337  -0.180139
     4  C    0.069947   0.128200   1.696159  -0.637633   0.772711  -0.700123
     5  C   -0.052266  -0.384385  -0.401914   1.851605  -0.782177   0.147958
     6  C   -0.038785   0.635511   0.210357  -3.843679  -0.309834   0.130839
     7  C    0.017106   0.027415   0.444978  -0.041197  -3.772911   2.222562
     8  C   -0.015013   0.026495   0.124383  -0.013500   2.366898  -3.900078
     9  C    0.024817  -0.004273   0.049700   0.174413  -0.518989   1.187461
    10  C   -0.021517  -0.181695  -0.044520   0.157854   0.063755  -0.195661
    11  C    0.002007  -0.003666  -0.002906   0.042475   0.013248   0.215741
    12  O    0.127829  -0.163305  -0.118395   0.002764  -0.007464   0.000092
    13  C    4.146596  -0.062896   0.040083   0.018719  -0.000390  -0.000405
    14  H   -0.062896   3.956138  -0.038262  -0.323266   0.002732  -0.001799
    15  H    0.040083  -0.038262   2.976903   0.010080  -0.173730  -0.001916
    16  H    0.018719  -0.323266   0.010080   3.268995  -0.000594   0.005918
    17  H   -0.000390   0.002732  -0.173730  -0.000594   3.087016  -0.248333
    18  H   -0.000405  -0.001799  -0.001916   0.005918  -0.248333   3.398250
    19  H   -0.001608   0.028309   0.004506  -0.319402   0.008900  -0.054278
    20  H    0.000131  -0.000206   0.000343  -0.000613   0.000146  -0.106497
    21  C    0.000127  -0.000576  -0.000212   0.000248   0.006376   0.045850
    22  C    0.000009  -0.000523   0.000871  -0.000220   0.008889   0.019293
    23  H    0.182123   0.037949  -0.016646  -0.001064   0.001650  -0.000153
    24  H    0.359191  -0.072866   0.010943   0.004822  -0.000757   0.000085
    25  H    0.359772  -0.073273   0.011015   0.005099  -0.000811   0.000094
    26  H    0.000039  -0.000204  -0.000176   0.002694   0.001218  -0.002005
    27  H    0.000045  -0.000670  -0.000263   0.006000   0.001213  -0.001140
    28  H   -0.000001   0.000045   0.000135  -0.000667  -0.000252   0.010878
    29  O   -0.000000   0.000001   0.000126   0.000619  -0.000696   0.002074
    30  O    0.000001  -0.000255   0.000044   0.001172  -0.000082   0.006392
    31  H    0.000002  -0.000057   0.000004   0.000253   0.000169  -0.000729
              19         20         21         22         23         24
     1  C    0.020384   0.000038   0.005655  -0.000630   0.827645  -0.382730
     2  C    0.163133   0.006730  -0.009359   0.003573  -0.314066   0.144980
     3  C   -0.074259  -0.036196   0.014332   0.017540  -0.319656   0.128399
     4  C   -0.621410  -0.081440  -0.012084   0.070774   0.162127  -0.083752
     5  C    0.924823  -0.061170   0.061415  -0.076598   0.002930  -0.012062
     6  C    0.511889   0.032646  -0.094912  -0.106114  -0.073823   0.099492
     7  C   -0.239674   0.109732   0.125725  -0.163484  -0.010374   0.006900
     8  C    0.426318  -0.036367  -0.278697  -0.231141  -0.005160   0.001074
     9  C    0.926310   0.343937   0.013561   0.240869   0.004186  -0.001315
    10  C   -3.826784   0.059167  -0.434377  -0.589078  -0.000661  -0.000079
    11  C   -0.108329  -1.570808   0.299138  -1.593687   0.000167   0.000158
    12  O   -0.000837  -0.000066   0.000019  -0.000036  -0.510802   0.160267
    13  C   -0.001608   0.000131   0.000127   0.000009   0.182123   0.359191
    14  H    0.028309  -0.000206  -0.000576  -0.000523   0.037949  -0.072866
    15  H    0.004506   0.000343  -0.000212   0.000871  -0.016646   0.010943
    16  H   -0.319402  -0.000613   0.000248  -0.000220  -0.001064   0.004822
    17  H    0.008900   0.000146   0.006376   0.008889   0.001650  -0.000757
    18  H   -0.054278  -0.106497   0.045850   0.019293  -0.000153   0.000085
    19  H    4.274417  -0.009019   0.046130   0.103099  -0.000151  -0.000704
    20  H   -0.009019   2.498724   0.068733   0.213751   0.000013   0.000009
    21  C    0.046130   0.068733   4.543936   0.112012   0.000017   0.000012
    22  C    0.103099   0.213751   0.112012   7.267298  -0.000003   0.000039
    23  H   -0.000151   0.000013   0.000017  -0.000003   2.444410  -0.476185
    24  H   -0.000704   0.000009   0.000012   0.000039  -0.476185   1.315533
    25  H   -0.000581   0.000001   0.000010   0.000025  -0.475145  -0.091018
    26  H   -0.024026  -0.026091   0.112580   0.028023   0.000000   0.000006
    27  H   -0.088446   0.076330   0.470598   0.004949   0.000003   0.000013
    28  H    0.028525  -0.010340  -0.064058  -0.000519   0.000000  -0.000001
    29  O   -0.005811   0.042535  -0.007010   0.077686  -0.000000  -0.000000
    30  O   -0.032470   0.058828   0.085568   0.047937  -0.000001   0.000009
    31  H    0.003290   0.006958  -0.019937  -0.173405  -0.000001   0.000005
              25         26         27         28         29         30
     1  C   -0.393610   0.002508  -0.004132   0.000522  -0.000498  -0.000862
     2  C    0.156397  -0.001639   0.018061  -0.003207   0.000967  -0.003887
     3  C    0.125107  -0.008189  -0.000990   0.004086  -0.000179   0.005625
     4  C   -0.087853  -0.024386  -0.096241   0.058078  -0.017100   0.002634
     5  C   -0.008066   0.026219   0.104656  -0.074619   0.025113  -0.033015
     6  C    0.101227   0.000282  -0.019772  -0.006223   0.007226  -0.009693
     7  C    0.007714   0.025315   0.095756  -0.048835   0.027601   0.025603
     8  C    0.001479  -0.019445  -0.053802  -0.011662  -0.015077  -0.016696
     9  C   -0.001864  -0.511550  -0.297046   0.784784   0.150351   0.210386
    10  C   -0.000695   0.054691  -0.205078   0.071839  -0.035546   0.033827
    11  C    0.000060   0.484175   0.257506  -0.653057  -0.006873  -0.538542
    12  O    0.160112   0.000001   0.000105  -0.000012   0.000000   0.000006
    13  C    0.359772   0.000039   0.000045  -0.000001  -0.000000   0.000001
    14  H   -0.073273  -0.000204  -0.000670   0.000045   0.000001  -0.000255
    15  H    0.011015  -0.000176  -0.000263   0.000135   0.000126   0.000044
    16  H    0.005099   0.002694   0.006000  -0.000667   0.000619   0.001172
    17  H   -0.000811   0.001218   0.001213  -0.000252  -0.000696  -0.000082
    18  H    0.000094  -0.002005  -0.001140   0.010878   0.002074   0.006392
    19  H   -0.000581  -0.024026  -0.088446   0.028525  -0.005811  -0.032470
    20  H    0.000001  -0.026091   0.076330  -0.010340   0.042535   0.058828
    21  C    0.000010   0.112580   0.470598  -0.064058  -0.007010   0.085568
    22  C    0.000025   0.028023   0.004949  -0.000519   0.077686   0.047937
    23  H   -0.475145   0.000000   0.000003   0.000000  -0.000000  -0.000001
    24  H   -0.091018   0.000006   0.000013  -0.000001  -0.000000   0.000009
    25  H    1.315276   0.000009  -0.000000   0.000002   0.000000   0.000004
    26  H    0.000009   1.609715  -0.221736  -0.338532  -0.002215   0.011298
    27  H   -0.000000  -0.221736   1.438419  -0.374198   0.000781   0.022523
    28  H    0.000002  -0.338532  -0.374198   1.855864   0.003821   0.009097
    29  O    0.000000  -0.002215   0.000781   0.003821   8.376402  -0.028916
    30  O    0.000004   0.011298   0.022523   0.009097  -0.028916   8.399477
    31  H    0.000003   0.002905  -0.006910  -0.000344  -0.019926   0.316028
              31
     1  C   -0.000375
     2  C    0.001499
     3  C    0.000370
     4  C   -0.004768
     5  C    0.002607
     6  C   -0.002330
     7  C    0.003964
     8  C   -0.000499
     9  C   -0.048670
    10  C   -0.005271
    11  C    0.180308
    12  O    0.000008
    13  C    0.000002
    14  H   -0.000057
    15  H    0.000004
    16  H    0.000253
    17  H    0.000169
    18  H   -0.000729
    19  H    0.003290
    20  H    0.006958
    21  C   -0.019937
    22  C   -0.173405
    23  H   -0.000001
    24  H    0.000005
    25  H    0.000003
    26  H    0.002905
    27  H   -0.006910
    28  H   -0.000344
    29  O   -0.019926
    30  O    0.316028
    31  H    0.561693
 Mulliken charges:
               1
     1  C   -0.056560
     2  C    0.402618
     3  C    0.182048
     4  C    1.505067
     5  C    1.055129
     6  C    0.055317
     7  C    1.265725
     8  C    0.320926
     9  C   -0.024172
    10  C    2.128229
    11  C   -0.074430
    12  O   -0.714753
    13  C    0.966526
    14  H   -1.093258
    15  H   -0.903820
    16  H   -0.950289
    17  H   -0.892290
    18  H   -0.984018
    19  H   -1.062243
    20  H   -0.579940
    21  C    0.909179
    22  C    0.718803
    23  H   -0.459330
    24  H   -0.110467
    25  H   -0.110491
    26  H   -0.181486
    27  H   -0.126531
    28  H   -0.241149
    29  O   -0.575456
    30  O   -0.572041
    31  H    0.203156
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.056560
     2  C   -0.690639
     3  C   -0.721772
     4  C    1.505067
     5  C    1.055129
     6  C   -0.894971
     7  C    0.373435
     8  C   -0.663092
     9  C   -0.024172
    10  C    1.065986
    11  C   -0.654370
    12  O   -0.714753
    13  C    0.286238
    21  C    0.360013
    22  C    0.718803
    29  O   -0.575456
    30  O   -0.368885
 Electronic spatial extent (au):  <R**2>=           5462.3347
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.9249    Y=             -2.3619    Z=              1.2671  Tot=              3.2999
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.1998   YY=            -91.0788   ZZ=           -103.7536
   XY=             -1.2028   XZ=             -6.9872   YZ=              3.9242
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.1442   YY=              4.2653   ZZ=             -8.4095
   XY=             -1.2028   XZ=             -6.9872   YZ=              3.9242
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            101.6614  YYY=             -3.2269  ZZZ=             -9.9081  XYY=             -3.5173
  XXY=            -64.4414  XXZ=             22.5297  XZZ=             -4.7696  YZZ=            -14.8693
  YYZ=             -9.5218  XYZ=            -20.1998
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5399.6483 YYYY=           -778.1420 ZZZZ=           -447.8700 XXXY=            -30.4014
 XXXZ=           -133.9190 YYYX=             31.7367 YYYZ=             10.9545 ZZZX=             17.7988
 ZZZY=             28.1627 XXYY=          -1054.7458 XXZZ=          -1085.4734 YYZZ=           -212.1597
 XXYZ=             94.4767 YYXZ=             32.1005 ZZXY=             49.3596
 N-N= 1.132687855108D+03 E-N=-4.053732256604D+03  KE= 7.630599409176D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Sep 23 15:48:31 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.85317116D-01-9.09046616D-01 4.60014775D-01
 Polarizability= 2.70359522D+02-1.56599650D+01 1.67802612D+02
                -7.41308291D+00-4.46928583D+00 1.13059248D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.0164    4.0162       -9.8923   -9.8939
 2     -4.0164   -4.0162        2.5153    2.5141      -56.0477  -56.0502
 3      9.8923    9.8939       85.9590   85.9519       -2.5145   -2.5141
 4     -2.5153   -2.5141       -0.0000    0.0000        9.8951    9.8939
 5    -29.9113  -29.9018       -9.8951   -9.8939        4.0174    4.0162
 6      2.5146    2.5141       -4.0174   -4.0162       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -12.0485  -12.0485      -29.6818  -29.6818
 2     -7.5424   -7.5424       -0.0000    0.0000      -29.6818  -29.6818
 3     -7.5424   -7.5424      -12.0485  -12.0485        0.0000    0.0000
 4    -12.0485  -12.0485        7.5425    7.5424     -168.1505 -168.1505
 5     29.6818   29.6818      257.8557  257.8557       -7.5424   -7.5424
 6    -89.7053  -89.7053      -29.6818  -29.6818       12.0485   12.0485
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.8465    0.0000      -15.1529  -16.0646       43.0367   39.5757
 2     13.7476   16.0646       -9.3928  -10.0566      227.3392  224.2006
 3    -40.6937  -39.5757     -343.5295 -343.8077       12.6091   10.0566
 4      9.4124   10.0566        0.2119    0.0000      -39.0419  -39.5757
 5    119.1439  119.6070       39.9699   39.5757      -14.9062  -16.0646
 6     -9.9477  -10.0566       16.0639   16.0646        0.2577    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.7571    0.0000      108.5212  107.9046       63.8545   59.9606
 2   -107.7243 -107.9046      -68.7620  -68.4703       26.4602   27.3494
 3    -55.3096  -59.9606      -36.0898  -33.7507       63.2113   68.4703
 4     69.3003   68.4703       -0.5330    0.0000      -61.1051  -59.9606
 5      8.8321    6.4013       59.1705   59.9606      105.3272  107.9046
 6    -67.9057  -68.4703     -107.7529 -107.9046       -1.9587    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     61.0692   59.1377       40.5953   41.2993      -33.5306  -29.8102
 2    175.2949  172.9759      129.7453  130.9503      -33.6420  -29.8102
 3    175.1643  172.9759       40.2196   41.2993     -101.7635  -98.0974
 4    -90.4682  -89.6510     -113.9407 -113.8381       15.8440   14.2028
 5    -66.5828  -68.2872      -22.6563  -22.1327      111.0690  113.8381
 6      7.0084    7.9299       67.8814   68.2872       92.8351   89.6510
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6532   -2.7523    0.0003    0.0005    0.0006    1.6950
 Low frequencies ---   13.8199   39.0318   49.3098
 Diagonal vibrational polarizability:
       46.2960990      24.0401293      36.5759428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     13.7814                39.0304                49.3078
 Red. masses --      4.4733                 6.8440                 6.3200
 Frc consts  --      0.0005                 0.0061                 0.0091
 IR Inten    --      0.1492                 0.7172                 1.3348
 RamAct Fr= 1--      5.9021                 2.1214                 1.2781
  Dep-P Fr= 1--      0.7382                 0.7500                 0.7222
  Dep-U Fr= 1--      0.8494                 0.8571                 0.8387
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0006
 Beta2  Fr= 1--      0.8356                 0.3031                 0.1787
 AlphaG Fr= 1--      0.0077                 0.0000                -0.0075
 Gamma2 Fr= 1--     -0.9269                -2.3908                 2.5635
 Delta2 Fr= 1--     -0.9588                -0.8369                 0.4427
 Raman1 Fr= 1--      23.608                  8.486                  5.112
 ROA1   Fr= 1--    -119.663               -256.294                260.260
 CID1   Fr= 1--      -5.069                -30.203                 50.908
 Raman2 Fr= 1--      10.027                  3.637                  2.144
 ROA2   Fr= 1--     -14.575                -50.683                 57.981
 CID2   Fr= 1--      -1.454                -13.937                 27.045
 Raman3 Fr= 1--      20.053                  7.273                  4.288
 ROA3   Fr= 1--    -119.663               -256.294                260.260
 CID3   Fr= 1--      -5.967                -35.237                 60.699
 RC180  Fr= 1--       0.699                  0.714                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.01  -0.02   0.04
     2   6     0.03   0.01   0.14    -0.02   0.01   0.07    -0.02  -0.01   0.07
     3   6    -0.02  -0.02  -0.11    -0.03   0.01   0.01     0.01  -0.00   0.06
     4   6    -0.01  -0.03  -0.07    -0.03   0.01   0.08     0.01   0.02   0.09
     5   6     0.02  -0.02   0.09    -0.02   0.01   0.14    -0.00   0.03   0.10
     6   6     0.04   0.00   0.18    -0.01   0.02   0.15    -0.02   0.01   0.11
     7   6    -0.03  -0.05  -0.16    -0.03   0.01   0.07     0.02   0.02   0.07
     8   6    -0.03  -0.06  -0.11    -0.03   0.00   0.07     0.01   0.03   0.03
     9   6     0.00  -0.05   0.04    -0.02   0.01   0.10    -0.00   0.04   0.01
    10   6     0.02  -0.03   0.13    -0.02   0.01   0.15    -0.01   0.04   0.07
    11   6     0.01  -0.06   0.06    -0.03  -0.01   0.01    -0.01   0.04  -0.07
    12   8    -0.01   0.01  -0.07    -0.05  -0.00  -0.12    -0.01  -0.04  -0.03
    13   6     0.02   0.03   0.03    -0.06  -0.01  -0.28    -0.04  -0.07  -0.24
    14   1     0.05   0.03   0.21    -0.02   0.01   0.06    -0.03  -0.01   0.07
    15   1    -0.04  -0.02  -0.23    -0.04   0.00  -0.05     0.02  -0.01   0.03
    16   1     0.06   0.01   0.30    -0.01   0.02   0.20    -0.03   0.02   0.13
    17   1    -0.06  -0.05  -0.28    -0.04   0.00   0.03     0.03   0.02   0.07
    18   1    -0.04  -0.07  -0.18    -0.04  -0.00   0.04     0.02   0.04  -0.00
    19   1     0.05  -0.02   0.24    -0.01   0.01   0.18    -0.01   0.04   0.07
    20   1     0.01  -0.06   0.18    -0.05  -0.02  -0.03    -0.03   0.04  -0.13
    21   6     0.01  -0.19  -0.02    -0.12  -0.02  -0.03    -0.09   0.09  -0.06
    22   6    -0.01   0.09   0.00     0.12  -0.01  -0.07     0.02  -0.03  -0.05
    23   1     0.00   0.04  -0.04    -0.07  -0.02  -0.41    -0.05  -0.10  -0.35
    24   1     0.01  -0.06   0.11    -0.19   0.01  -0.27    -0.19  -0.00  -0.27
    25   1     0.04   0.14   0.08     0.07  -0.04  -0.29     0.08  -0.15  -0.28
    26   1     0.04  -0.30   0.03    -0.20  -0.01   0.00    -0.13   0.11  -0.05
    27   1    -0.03  -0.20  -0.15    -0.09  -0.01   0.01    -0.08   0.08  -0.00
    28   1     0.01  -0.16  -0.01    -0.12  -0.05  -0.12    -0.09   0.09  -0.12
    29   8    -0.05   0.18   0.09     0.40   0.03  -0.22    -0.26  -0.13   0.05
    30   8     0.01   0.10  -0.16    -0.06  -0.04   0.04     0.37   0.02  -0.14
    31   1     0.00   0.19  -0.18     0.09  -0.03  -0.02     0.33  -0.03  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5962               115.8049               139.2808
 Red. masses --      3.9686                 5.1213                 3.8393
 Frc consts  --      0.0130                 0.0405                 0.0439
 IR Inten    --      2.0603                 0.7265                 0.6041
 RamAct Fr= 1--      1.6737                 1.2872                 1.6521
  Dep-P Fr= 1--      0.6944                 0.4826                 0.6676
  Dep-U Fr= 1--      0.8197                 0.6510                 0.8006
 Alpha2 Fr= 1--      0.0016                 0.0069                 0.0024
 Beta2  Fr= 1--      0.2286                 0.1397                 0.2205
 AlphaG Fr= 1--      0.0130                -0.0348                 0.0101
 Gamma2 Fr= 1--     -0.9517                -1.6563                 2.3665
 Delta2 Fr= 1--      0.0216                -0.9240                 1.6673
 Raman1 Fr= 1--       6.695                  5.149                  6.609
 ROA1   Fr= 1--     -90.670               -188.571                280.537
 CID1   Fr= 1--     -13.544                -36.624                 42.451
 Raman2 Fr= 1--       2.744                  1.676                  2.646
 ROA2   Fr= 1--     -23.013                -32.359                 43.458
 CID2   Fr= 1--      -8.388                -19.307                 16.427
 Raman3 Fr= 1--       5.487                  3.352                  5.291
 ROA3   Fr= 1--     -90.670               -188.571                280.537
 CID3   Fr= 1--     -16.523                -56.255                 53.021
 RC180  Fr= 1--       0.639                  0.302                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.13    -0.05  -0.00   0.04    -0.01   0.01   0.01
     2   6    -0.04  -0.02  -0.11    -0.08  -0.00  -0.04    -0.04   0.04   0.08
     3   6    -0.03  -0.01  -0.09    -0.04   0.01  -0.06     0.03   0.06   0.04
     4   6    -0.02   0.01  -0.01    -0.05   0.03  -0.12     0.02   0.10   0.05
     5   6    -0.03   0.01   0.01    -0.06   0.04  -0.09     0.00   0.10   0.01
     6   6    -0.04  -0.00  -0.04    -0.09   0.02  -0.11    -0.04   0.08   0.07
     7   6    -0.01   0.02   0.06    -0.05   0.03  -0.16     0.01   0.10   0.07
     8   6    -0.01   0.03   0.11    -0.05   0.05  -0.07    -0.00   0.09   0.01
     9   6    -0.01   0.03   0.09    -0.03   0.06   0.04    -0.00   0.08  -0.07
    10   6    -0.02   0.02   0.06    -0.04   0.06  -0.01     0.01   0.09  -0.07
    11   6    -0.02   0.01   0.03    -0.01  -0.02   0.11     0.02  -0.04  -0.03
    12   8    -0.04  -0.04  -0.20    -0.02  -0.03   0.25    -0.00  -0.09  -0.12
    13   6    -0.01  -0.00   0.25    -0.10  -0.10  -0.03    -0.08  -0.16   0.03
    14   1    -0.05  -0.02  -0.15    -0.10  -0.01  -0.02    -0.06   0.02   0.11
    15   1    -0.02  -0.01  -0.10    -0.01   0.00  -0.03     0.07   0.04   0.02
    16   1    -0.05   0.00  -0.04    -0.12   0.03  -0.13    -0.08   0.10   0.10
    17   1    -0.01   0.02   0.06    -0.06   0.03  -0.22     0.01   0.11   0.12
    18   1    -0.00   0.03   0.14    -0.05   0.05  -0.08    -0.00   0.09   0.03
    19   1    -0.02   0.02   0.05    -0.03   0.06   0.03     0.02   0.09  -0.11
    20   1    -0.04   0.00   0.01    -0.07  -0.05   0.16    -0.07  -0.09   0.06
    21   6    -0.07   0.00   0.01     0.09  -0.12   0.07     0.21  -0.17  -0.05
    22   6     0.08  -0.00  -0.00     0.10  -0.00   0.06    -0.02  -0.05  -0.02
    23   1     0.00  -0.00   0.33    -0.07  -0.13   0.08    -0.05  -0.26  -0.09
    24   1     0.19  -0.22   0.40    -0.17   0.13  -0.22    -0.17  -0.29   0.16
    25   1    -0.19   0.24   0.39    -0.12  -0.35  -0.18    -0.09   0.01   0.13
    26   1    -0.13   0.01   0.03     0.09  -0.15   0.09     0.25  -0.20  -0.05
    27   1    -0.04   0.01   0.03     0.16  -0.09   0.00     0.31  -0.12  -0.16
    28   1    -0.07  -0.02  -0.05     0.10  -0.20   0.11     0.23  -0.30   0.05
    29   8     0.07  -0.03  -0.01     0.16   0.00   0.03    -0.03  -0.05  -0.01
    30   8     0.19   0.01  -0.02     0.21   0.01   0.02    -0.07  -0.06  -0.00
    31   1     0.25   0.00  -0.05     0.32   0.03  -0.04    -0.10  -0.05   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.3410               195.6067               231.0924
 Red. masses --      3.1684                 3.3765                 1.7281
 Frc consts  --      0.0621                 0.0761                 0.0544
 IR Inten    --      0.8368                 0.5546                 0.9944
 RamAct Fr= 1--      0.2809                 2.2957                 0.3952
  Dep-P Fr= 1--      0.3014                 0.5429                 0.3781
  Dep-U Fr= 1--      0.4632                 0.7038                 0.5487
 Alpha2 Fr= 1--      0.0029                 0.0091                 0.0032
 Beta2  Fr= 1--      0.0217                 0.2693                 0.0361
 AlphaG Fr= 1--      0.0152                -0.0201                -0.0012
 Gamma2 Fr= 1--     -1.1040                -1.5622                 0.2795
 Delta2 Fr= 1--      0.2781                -1.3553                 0.0668
 Raman1 Fr= 1--       1.124                  9.183                  1.581
 ROA1   Fr= 1--     -97.088               -193.345                 28.971
 CID1   Fr= 1--     -86.394                -21.055                 18.325
 Raman2 Fr= 1--       0.260                  3.231                  0.434
 ROA2   Fr= 1--     -28.721                -26.651                  6.174
 CID2   Fr= 1--    -110.345                 -8.248                 14.233
 Raman3 Fr= 1--       0.521                  6.463                  0.868
 ROA3   Fr= 1--     -97.088               -193.345                 28.971
 CID3   Fr= 1--    -186.505                -29.918                 33.395
 RC180  Fr= 1--      -0.074                  0.408                  0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.05  -0.03   0.05     0.02   0.07   0.01
     2   6     0.01   0.00   0.21    -0.04  -0.05  -0.00     0.03   0.06  -0.00
     3   6    -0.04  -0.04  -0.14    -0.04  -0.04   0.19     0.01   0.06   0.01
     4   6    -0.03  -0.04  -0.11    -0.04  -0.05   0.11     0.00   0.03  -0.00
     5   6    -0.03  -0.04  -0.14    -0.04  -0.06   0.02     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.05    -0.04  -0.06  -0.00     0.04   0.04  -0.03
     7   6     0.00  -0.01   0.06    -0.01  -0.03  -0.01    -0.03  -0.00  -0.00
     8   6     0.01   0.01   0.17    -0.02  -0.02  -0.14    -0.03  -0.05  -0.00
     9   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.10    -0.00  -0.06   0.00
    10   6    -0.04  -0.04  -0.20    -0.05  -0.03  -0.05     0.03  -0.04  -0.02
    11   6    -0.00   0.01   0.01     0.01   0.02   0.01    -0.00  -0.03   0.02
    12   8    -0.03   0.02   0.01    -0.09   0.02  -0.10     0.04  -0.00  -0.01
    13   6     0.01   0.05  -0.02     0.00   0.11  -0.01    -0.07  -0.11   0.02
    14   1     0.04   0.03   0.44    -0.03  -0.05  -0.07     0.03   0.07   0.01
    15   1    -0.05  -0.04  -0.20    -0.04  -0.03   0.24    -0.01   0.07   0.02
    16   1     0.01  -0.01   0.14    -0.04  -0.07  -0.05     0.06   0.03  -0.04
    17   1     0.02  -0.01   0.17     0.02  -0.05  -0.02    -0.08   0.01   0.00
    18   1     0.04   0.03   0.38    -0.03  -0.03  -0.24    -0.05  -0.07   0.00
    19   1    -0.06  -0.04  -0.30    -0.08  -0.02  -0.05     0.06  -0.05  -0.02
    20   1     0.01   0.02   0.00     0.01   0.02   0.02     0.04  -0.01  -0.02
    21   6     0.03   0.04   0.03     0.18   0.07   0.09    -0.06   0.05   0.05
    22   6     0.01   0.01   0.01     0.02   0.02   0.01     0.00  -0.02   0.01
    23   1    -0.04   0.06  -0.31    -0.05   0.17  -0.17    -0.04  -0.23  -0.12
    24   1    -0.15  -0.09   0.14     0.01  -0.04   0.12    -0.23  -0.17   0.11
    25   1     0.23   0.20   0.07     0.13   0.27   0.08    -0.05  -0.00   0.08
    26   1     0.06   0.06   0.01     0.48   0.02  -0.01     0.33  -0.14  -0.00
    27   1     0.03   0.04   0.04     0.03   0.01  -0.01    -0.48  -0.12  -0.08
    28   1     0.03   0.04   0.07     0.19   0.22   0.36    -0.08   0.50   0.27
    29   8     0.03   0.02  -0.00     0.07   0.04  -0.01     0.03   0.01   0.02
    30   8     0.05   0.02  -0.01     0.08   0.03  -0.02     0.00  -0.02  -0.04
    31   1     0.08   0.02  -0.02     0.16   0.04  -0.06     0.02   0.02  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5516               248.2345               271.7265
 Red. masses --      1.3354                 1.7323                 2.5185
 Frc consts  --      0.0425                 0.0629                 0.1096
 IR Inten    --      0.2266                 0.2440                 0.8921
 RamAct Fr= 1--      1.2419                 0.7356                 0.5082
  Dep-P Fr= 1--      0.6227                 0.3435                 0.6594
  Dep-U Fr= 1--      0.7675                 0.5113                 0.7948
 Alpha2 Fr= 1--      0.0029                 0.0066                 0.0008
 Beta2  Fr= 1--      0.1589                 0.0627                 0.0673
 AlphaG Fr= 1--      0.0032                -0.0079                -0.0107
 Gamma2 Fr= 1--      0.6974                -0.1001                 0.6695
 Delta2 Fr= 1--      0.0342                 0.3692                -0.0138
 Raman1 Fr= 1--       4.968                  2.942                  2.033
 ROA1   Fr= 1--      68.046                  2.209                 63.832
 CID1   Fr= 1--      13.698                  0.751                 31.399
 Raman2 Fr= 1--       1.906                  0.752                  0.808
 ROA2   Fr= 1--      16.464                 -5.355                 16.179
 CID2   Fr= 1--       8.636                 -7.119                 20.028
 Raman3 Fr= 1--       3.813                  1.504                  1.616
 ROA3   Fr= 1--      68.046                  2.209                 63.832
 CID3   Fr= 1--      17.847                  1.468                 39.507
 RC180  Fr= 1--       0.535                  0.023                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04    -0.01   0.04  -0.01     0.02   0.02   0.05
     2   6    -0.01  -0.02   0.00     0.01   0.03   0.02     0.03   0.03   0.09
     3   6    -0.02  -0.02  -0.08    -0.01   0.03  -0.00     0.02   0.02   0.11
     4   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.02
     5   6    -0.01  -0.00   0.04     0.01  -0.01   0.01    -0.00  -0.01  -0.07
     6   6    -0.01  -0.01   0.05     0.02   0.01   0.03     0.02   0.01   0.02
     7   6     0.01   0.01   0.04    -0.03  -0.01   0.02    -0.01  -0.01  -0.03
     8   6     0.01   0.02   0.05    -0.02  -0.04   0.00    -0.01  -0.02  -0.05
     9   6     0.00   0.02  -0.01     0.00  -0.05  -0.02    -0.01  -0.02  -0.04
    10   6    -0.01   0.01   0.03     0.01  -0.04  -0.03    -0.01  -0.03  -0.14
    11   6     0.00   0.01  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.04
    12   8    -0.02   0.00   0.02    -0.00   0.01  -0.03     0.01  -0.01  -0.12
    13   6     0.01   0.03  -0.00    -0.07  -0.05   0.01    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.00     0.02   0.04   0.01     0.03   0.03   0.11
    15   1    -0.01  -0.03  -0.11    -0.03   0.04  -0.01     0.01   0.03   0.13
    16   1    -0.01   0.00   0.09     0.04   0.01   0.05     0.03   0.00   0.03
    17   1     0.03   0.00   0.06    -0.05  -0.00   0.03    -0.02  -0.01  -0.03
    18   1     0.02   0.03   0.08    -0.04  -0.06   0.01    -0.01  -0.02  -0.05
    19   1    -0.02   0.02   0.03     0.03  -0.05  -0.05    -0.01  -0.04  -0.20
    20   1    -0.00   0.00  -0.02     0.02  -0.03  -0.06     0.02   0.04   0.09
    21   6     0.07   0.01  -0.00     0.06   0.10   0.09    -0.11  -0.07  -0.05
    22   6    -0.01  -0.01  -0.02     0.00  -0.03  -0.01     0.00   0.05   0.05
    23   1     0.04   0.10   0.41    -0.00  -0.09   0.33     0.05  -0.00   0.47
    24   1     0.26   0.25  -0.26     0.08   0.11  -0.16     0.28   0.17  -0.25
    25   1    -0.24  -0.24  -0.16    -0.32  -0.22  -0.09    -0.37  -0.25  -0.14
    26   1     0.41  -0.16  -0.06    -0.21   0.41   0.03    -0.15  -0.19   0.03
    27   1    -0.20  -0.10  -0.18     0.36   0.22   0.37    -0.15  -0.09  -0.14
    28   1     0.06   0.29   0.24     0.07  -0.20  -0.03    -0.12  -0.03  -0.14
    29   8    -0.01  -0.02  -0.03     0.03   0.04   0.03     0.01   0.00   0.01
    30   8    -0.01  -0.01  -0.02    -0.01  -0.02  -0.10     0.06   0.05   0.13
    31   1    -0.01  -0.01  -0.02    -0.02   0.05  -0.12     0.12  -0.02   0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    304.4287               350.6857               394.0340
 Red. masses --      4.1539                 4.9942                 5.2777
 Frc consts  --      0.2268                 0.3619                 0.4828
 IR Inten    --      0.3516                 1.1133                 0.5238
 RamAct Fr= 1--      7.5811                 8.7629                 0.4507
  Dep-P Fr= 1--      0.1007                 0.2202                 0.4727
  Dep-U Fr= 1--      0.1831                 0.3609                 0.6420
 Alpha2 Fr= 1--      0.1325                 0.1127                 0.0025
 Beta2  Fr= 1--      0.2313                 0.5271                 0.0482
 AlphaG Fr= 1--      0.0997                -0.0158                 0.0229
 Gamma2 Fr= 1--      0.2163                 0.0983                -0.3348
 Delta2 Fr= 1--     -0.3867                 0.4891                -0.8852
 Raman1 Fr= 1--      30.324                 35.052                  1.803
 ROA1   Fr= 1--       8.387                 25.085                -60.467
 CID1   Fr= 1--       0.277                  0.716                -33.540
 Raman2 Fr= 1--       2.776                  6.325                  0.579
 ROA2   Fr= 1--       8.284                 -1.554                 -0.953
 CID2   Fr= 1--       2.985                 -0.246                 -1.647
 Raman3 Fr= 1--       5.551                 12.651                  1.157
 ROA3   Fr= 1--       8.387                 25.085                -60.467
 CID3   Fr= 1--       1.511                  1.983                -52.243
 RC180  Fr= 1--      -0.634                 -0.278                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.09   0.05     0.10   0.03  -0.06     0.07   0.07   0.15
     2   6    -0.04  -0.05   0.06     0.03   0.06  -0.05     0.05   0.06   0.08
     3   6     0.08  -0.03   0.07     0.03   0.01  -0.07     0.01   0.01   0.16
     4   6     0.03   0.08  -0.02    -0.01   0.01   0.03    -0.02  -0.10  -0.11
     5   6    -0.02   0.10  -0.06    -0.04   0.02   0.05    -0.04  -0.08  -0.08
     6   6    -0.07   0.05  -0.01     0.03   0.06   0.03     0.03  -0.04  -0.12
     7   6    -0.02   0.07  -0.05    -0.10  -0.05   0.08     0.02  -0.08  -0.20
     8   6    -0.03   0.06  -0.01    -0.12  -0.08  -0.01     0.04   0.06   0.17
     9   6    -0.05   0.06   0.03    -0.15  -0.07  -0.05    -0.02   0.09   0.23
    10   6    -0.02   0.09  -0.06    -0.08  -0.03   0.01    -0.06   0.04   0.13
    11   6    -0.06  -0.09   0.06    -0.19   0.03   0.03    -0.06   0.05   0.02
    12   8     0.04  -0.11  -0.05     0.17  -0.07   0.03     0.05   0.04  -0.11
    13   6     0.23   0.05  -0.03     0.21  -0.08  -0.01    -0.02  -0.03  -0.01
    14   1    -0.08  -0.10   0.09     0.00   0.04  -0.06     0.06   0.06   0.07
    15   1     0.16  -0.06   0.08    -0.02   0.04  -0.08    -0.08   0.05   0.20
    16   1    -0.15   0.08  -0.02     0.08   0.05   0.04     0.11  -0.08  -0.21
    17   1    -0.05   0.08  -0.08    -0.17  -0.01   0.13     0.08  -0.13  -0.38
    18   1    -0.02   0.08  -0.02    -0.10  -0.07  -0.02     0.11   0.12   0.24
    19   1     0.00   0.08  -0.08    -0.01  -0.05   0.02    -0.13   0.06   0.11
    20   1    -0.13  -0.11  -0.01    -0.14   0.04   0.13    -0.13   0.02   0.02
    21   6    -0.12   0.01   0.12     0.07  -0.02   0.10     0.08   0.00   0.05
    22   6    -0.00  -0.10   0.03    -0.14   0.08  -0.02    -0.04   0.01  -0.07
    23   1     0.15   0.25   0.08     0.18  -0.03  -0.08     0.04  -0.12   0.11
    24   1     0.43   0.07  -0.10     0.19  -0.09   0.01     0.00  -0.01  -0.04
    25   1     0.25  -0.02  -0.07     0.29  -0.06   0.00    -0.18  -0.04  -0.02
    26   1    -0.07   0.03   0.09     0.13   0.08   0.02     0.20   0.01  -0.01
    27   1    -0.23  -0.04   0.20     0.26   0.06   0.06     0.15   0.04  -0.03
    28   1    -0.13   0.15   0.12     0.10  -0.22   0.29     0.10  -0.08   0.22
    29   8     0.05   0.01   0.08    -0.03  -0.01  -0.17    -0.06  -0.08  -0.13
    30   8    -0.05  -0.10  -0.16     0.06   0.11   0.07    -0.04   0.01  -0.07
    31   1    -0.04   0.06  -0.22     0.35   0.00  -0.02    -0.07   0.04  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.0250               422.8950               468.1367
 Red. masses --      3.3019                 4.3421                 4.8720
 Frc consts  --      0.3383                 0.4575                 0.6291
 IR Inten    --      0.0888                 0.8879                 3.3294
 RamAct Fr= 1--      3.2119                 0.3544                 1.5702
  Dep-P Fr= 1--      0.7211                 0.2673                 0.1474
  Dep-U Fr= 1--      0.8380                 0.4219                 0.2569
 Alpha2 Fr= 1--      0.0016                 0.0040                 0.0244
 Beta2  Fr= 1--      0.4486                 0.0249                 0.0672
 AlphaG Fr= 1--      0.0050                -0.0071                 0.0169
 Gamma2 Fr= 1--     -0.6338                -0.4179                 0.1835
 Delta2 Fr= 1--      0.0404                 0.1915                -0.0114
 Raman1 Fr= 1--      12.848                  1.418                  6.281
 ROA1   Fr= 1--     -59.551                -33.994                 17.254
 CID1   Fr= 1--      -4.635                -23.977                  2.747
 Raman2 Fr= 1--       5.383                  0.299                  0.807
 ROA2   Fr= 1--     -15.534                -11.563                  4.497
 CID2   Fr= 1--      -2.886                -38.665                  5.574
 Raman3 Fr= 1--      10.766                  0.598                  1.613
 ROA3   Fr= 1--     -59.551                -33.994                 17.254
 CID3   Fr= 1--      -5.532                -56.836                 10.695
 RC180  Fr= 1--       0.676                 -0.156                 -0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.08   0.06  -0.07     0.02   0.11   0.01
     2   6    -0.01  -0.01  -0.20     0.06   0.06  -0.02    -0.05   0.14  -0.00
     3   6     0.01   0.01   0.10    -0.02  -0.04  -0.07    -0.10   0.05   0.02
     4   6    -0.00  -0.02  -0.03     0.01  -0.15   0.08    -0.13  -0.07   0.00
     5   6     0.00  -0.00   0.09    -0.06  -0.12   0.04    -0.12  -0.07   0.03
     6   6     0.03   0.02   0.24     0.06  -0.06   0.02    -0.03   0.01  -0.01
     7   6    -0.01  -0.02  -0.17     0.12  -0.07   0.10    -0.10  -0.04  -0.02
     8   6     0.02   0.03   0.13     0.05   0.14  -0.13    -0.08   0.02   0.04
     9   6    -0.00   0.02   0.01    -0.07   0.17  -0.09    -0.01   0.02   0.01
    10   6    -0.03  -0.01  -0.17    -0.13   0.09  -0.05    -0.11  -0.06   0.04
    11   6    -0.01   0.00   0.01    -0.09   0.01   0.06     0.09   0.05  -0.11
    12   8     0.01   0.01   0.05     0.10   0.11   0.01     0.10  -0.08  -0.01
    13   6    -0.00  -0.00   0.01    -0.05  -0.03   0.01     0.18  -0.09  -0.01
    14   1    -0.03  -0.03  -0.32     0.07   0.07   0.01    -0.02   0.16  -0.03
    15   1     0.02   0.03   0.31    -0.17   0.01  -0.09    -0.26   0.11   0.02
    16   1     0.06   0.04   0.45     0.20  -0.11   0.03     0.09  -0.04  -0.05
    17   1    -0.01  -0.05  -0.34     0.30  -0.12   0.16    -0.05  -0.06  -0.04
    18   1     0.04   0.05   0.26     0.18   0.24  -0.23    -0.10  -0.00   0.06
    19   1    -0.07  -0.02  -0.40    -0.28   0.15  -0.02    -0.19  -0.03   0.02
    20   1    -0.02  -0.00   0.00    -0.21  -0.04   0.04     0.04   0.03  -0.23
    21   6    -0.01  -0.00   0.01    -0.08  -0.05   0.05     0.07   0.07  -0.20
    22   6     0.00  -0.00   0.00    -0.02  -0.06   0.06     0.14  -0.04   0.02
    23   1    -0.01  -0.03  -0.09     0.03  -0.21  -0.00     0.14   0.01  -0.01
    24   1    -0.08  -0.02   0.05    -0.18  -0.01   0.03     0.24  -0.09  -0.02
    25   1     0.05   0.03   0.03    -0.14  -0.01   0.02     0.23  -0.09  -0.01
    26   1    -0.00  -0.01   0.01    -0.10  -0.10   0.09     0.07   0.01  -0.16
    27   1    -0.01  -0.01  -0.00    -0.10  -0.06   0.01     0.05   0.07  -0.26
    28   1    -0.01   0.01   0.01    -0.08  -0.04   0.01     0.07   0.08  -0.23
    29   8     0.00  -0.00   0.00     0.05  -0.00   0.06     0.05   0.07   0.18
    30   8    -0.00  -0.01  -0.01    -0.01  -0.06  -0.06     0.01  -0.08   0.02
    31   1     0.00   0.01  -0.01     0.10   0.07  -0.15    -0.30  -0.10   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --    483.1789               535.1604               557.3698
 Red. masses --      2.5469                 6.3494                 3.3755
 Frc consts  --      0.3503                 1.0714                 0.6178
 IR Inten    --     14.5977                 2.4527                 6.3802
 RamAct Fr= 1--      0.3950                16.5261                 4.6611
  Dep-P Fr= 1--      0.3165                 0.3885                 0.2029
  Dep-U Fr= 1--      0.4808                 0.5596                 0.3373
 Alpha2 Fr= 1--      0.0039                 0.1275                 0.0628
 Beta2  Fr= 1--      0.0317                 1.5414                 0.2620
 AlphaG Fr= 1--      0.0123                 0.0723                -0.0803
 Gamma2 Fr= 1--     -0.7713                -0.0860                 0.1764
 Delta2 Fr= 1--     -0.0385                 0.2008                -0.0378
 Raman1 Fr= 1--       1.580                 66.104                 18.645
 ROA1   Fr= 1--     -75.273                 -1.834                 15.723
 CID1   Fr= 1--     -47.646                 -0.028                  0.843
 Raman2 Fr= 1--       0.380                 18.497                  3.144
 ROA2   Fr= 1--     -18.203                 -3.671                  4.535
 CID2   Fr= 1--     -47.924                 -0.198                  1.442
 Raman3 Fr= 1--       0.760                 36.995                  6.289
 ROA3   Fr= 1--     -75.273                 -1.834                 15.723
 CID3   Fr= 1--     -99.088                 -0.050                  2.500
 RC180  Fr= 1--      -0.038                  0.119                 -0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.07    -0.06   0.12  -0.04     0.08  -0.04   0.11
     2   6     0.00   0.00   0.05    -0.27   0.21   0.01    -0.04  -0.04  -0.01
     3   6    -0.01  -0.01  -0.12     0.07   0.17  -0.03     0.09  -0.06   0.01
     4   6     0.02   0.02   0.19     0.13  -0.05   0.02     0.07   0.00  -0.10
     5   6     0.02   0.02   0.20    -0.12   0.02  -0.01    -0.03   0.07   0.05
     6   6    -0.01  -0.01  -0.10    -0.23   0.06   0.02    -0.07   0.07  -0.01
     7   6    -0.01  -0.01  -0.10     0.25  -0.10   0.00     0.04  -0.04  -0.04
     8   6     0.01   0.00   0.05     0.27  -0.16  -0.04     0.05  -0.08   0.07
     9   6     0.00   0.00   0.04     0.04  -0.07   0.03    -0.08  -0.05  -0.11
    10   6    -0.01  -0.01  -0.11    -0.07  -0.11  -0.00    -0.04  -0.00   0.06
    11   6    -0.00   0.00   0.00     0.02   0.01   0.05    -0.10   0.01  -0.08
    12   8    -0.00  -0.00  -0.01    -0.04  -0.06   0.02     0.04   0.10  -0.04
    13   6    -0.00   0.00  -0.00     0.05   0.02  -0.01    -0.06   0.04  -0.00
    14   1    -0.01  -0.01  -0.12    -0.25   0.22   0.05    -0.16  -0.15  -0.18
    15   1    -0.04  -0.05  -0.49    -0.06   0.22   0.00     0.14  -0.09  -0.08
    16   1    -0.05  -0.04  -0.46    -0.16   0.05   0.06    -0.14   0.08  -0.15
    17   1    -0.04  -0.04  -0.42     0.24  -0.10  -0.01    -0.03   0.00   0.09
    18   1    -0.00  -0.01  -0.05     0.33  -0.11  -0.10     0.11  -0.03   0.29
    19   1    -0.04  -0.04  -0.45     0.00  -0.14  -0.02     0.06  -0.03   0.15
    20   1     0.00   0.00   0.00     0.06   0.03   0.08    -0.10   0.02  -0.15
    21   6    -0.00  -0.00   0.00    -0.01  -0.03   0.05     0.02   0.03  -0.10
    22   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.07  -0.06   0.04
    23   1    -0.00   0.00   0.00    -0.01   0.15  -0.01     0.01  -0.11   0.01
    24   1     0.00  -0.00   0.00     0.13   0.01  -0.02    -0.15   0.04   0.02
    25   1    -0.01   0.01   0.00     0.14   0.01  -0.01    -0.17   0.06   0.01
    26   1     0.01  -0.01   0.00    -0.05  -0.06   0.08     0.06   0.03  -0.11
    27   1     0.00   0.00  -0.00    -0.01  -0.03   0.04     0.09   0.06  -0.16
    28   1    -0.00   0.00   0.02    -0.02  -0.04   0.01     0.03  -0.05  -0.01
    29   8    -0.00  -0.00  -0.00    -0.01  -0.06  -0.04     0.04   0.10   0.09
    30   8    -0.00   0.00  -0.00    -0.02   0.01  -0.04     0.01  -0.07   0.05
    31   1    -0.02   0.00   0.01    -0.03   0.10  -0.06     0.56  -0.09  -0.17
                     22                     23                     24
                      A                      A                      A
 Frequencies --    577.8960               596.4236               617.4476
 Red. masses --      2.8086                 1.8152                 3.4111
 Frc consts  --      0.5526                 0.3804                 0.7662
 IR Inten    --     42.0122                60.6067                24.2823
 RamAct Fr= 1--      3.9873                 2.9156                 1.5462
  Dep-P Fr= 1--      0.3432                 0.7239                 0.6325
  Dep-U Fr= 1--      0.5110                 0.8398                 0.7749
 Alpha2 Fr= 1--      0.0358                 0.0013                 0.0033
 Beta2  Fr= 1--      0.3396                 0.4081                 0.1997
 AlphaG Fr= 1--      0.0973                -0.0067                -0.0315
 Gamma2 Fr= 1--      0.4909                -0.1460                 0.7295
 Delta2 Fr= 1--     -0.1580                -0.8956                 0.6836
 Raman1 Fr= 1--      15.949                 11.662                  6.185
 ROA1   Fr= 1--      42.068                -42.676                 91.911
 CID1   Fr= 1--       2.638                 -3.659                 14.860
 Raman2 Fr= 1--       4.075                  4.897                  2.396
 ROA2   Fr= 1--      13.045                  3.661                 12.040
 CID2   Fr= 1--       3.201                  0.748                  5.025
 Raman3 Fr= 1--       8.150                  9.794                  4.792
 ROA3   Fr= 1--      42.068                -42.676                 91.911
 CID3   Fr= 1--       5.162                 -4.357                 19.178
 RC180  Fr= 1--       0.022                  0.680                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.08   0.13    -0.03  -0.01  -0.11    -0.05   0.02  -0.11
     2   6     0.01   0.05  -0.03     0.03  -0.00   0.03    -0.01   0.02   0.04
     3   6    -0.04   0.11  -0.01     0.00   0.02   0.01     0.07   0.10   0.00
     4   6    -0.02  -0.03  -0.08     0.01   0.02   0.07     0.10  -0.02   0.05
     5   6     0.08  -0.06   0.06     0.02  -0.01  -0.05     0.07  -0.02  -0.04
     6   6     0.07  -0.10   0.01     0.03  -0.02  -0.03     0.01  -0.08  -0.03
     7   6     0.01  -0.01  -0.03    -0.01  -0.00   0.01     0.01  -0.12  -0.00
     8   6     0.01   0.07   0.03    -0.01  -0.02  -0.00    -0.02  -0.01   0.02
     9   6     0.03   0.03  -0.14     0.01   0.00   0.10    -0.07   0.04   0.06
    10   6     0.07   0.04   0.02     0.02  -0.01  -0.00     0.04   0.11   0.00
    11   6     0.01  -0.03  -0.00    -0.03   0.09   0.00    -0.11  -0.10  -0.09
    12   8    -0.10  -0.13  -0.00    -0.03  -0.03   0.03    -0.06  -0.05   0.03
    13   6     0.04  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    14   1     0.14   0.15  -0.30     0.08   0.04   0.25     0.10   0.11   0.26
    15   1    -0.10   0.12  -0.13     0.03   0.03   0.12     0.10   0.11   0.13
    16   1     0.10  -0.13  -0.16     0.04  -0.00   0.12     0.04  -0.07   0.10
    17   1     0.10  -0.02   0.15    -0.05  -0.01  -0.17    -0.01  -0.13  -0.18
    18   1     0.05   0.11   0.27    -0.03  -0.05  -0.19     0.07   0.06  -0.15
    19   1     0.02   0.08   0.14     0.03  -0.02  -0.11     0.05   0.09  -0.09
    20   1     0.02  -0.03   0.04    -0.01   0.10  -0.05    -0.18  -0.12  -0.12
    21   6    -0.02  -0.01   0.02     0.03   0.04  -0.08    -0.01  -0.01  -0.00
    22   6    -0.07  -0.01   0.03    -0.04  -0.02   0.06    -0.02  -0.03  -0.11
    23   1    -0.06   0.18  -0.02    -0.02   0.05   0.00    -0.06   0.10   0.00
    24   1     0.18  -0.05  -0.02     0.02   0.01  -0.01     0.03   0.02  -0.01
    25   1     0.16  -0.02  -0.01     0.04  -0.01  -0.00     0.05  -0.00  -0.01
    26   1    -0.07   0.00   0.03     0.04  -0.06  -0.03     0.13   0.14  -0.15
    27   1    -0.06  -0.03   0.08     0.10   0.08  -0.24     0.03   0.00   0.09
    28   1    -0.03   0.03  -0.04     0.04  -0.06  -0.05     0.01  -0.00   0.20
    29   8     0.00   0.01  -0.01     0.02  -0.03   0.03    -0.02   0.17   0.02
    30   8    -0.02  -0.00   0.02    -0.06  -0.03  -0.02     0.08  -0.06   0.08
    31   1     0.54   0.06  -0.24     0.66   0.21  -0.40    -0.16  -0.48   0.33
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.6200               684.9949               691.9348
 Red. masses --      2.5507                 3.3633                 4.8409
 Frc consts  --      0.6091                 0.9298                 1.3656
 IR Inten    --     14.2091                21.1621                 5.0547
 RamAct Fr= 1--      2.7127                 0.3459                 1.7098
  Dep-P Fr= 1--      0.7178                 0.6859                 0.0872
  Dep-U Fr= 1--      0.8357                 0.8137                 0.1604
 Alpha2 Fr= 1--      0.0015                 0.0004                 0.0309
 Beta2  Fr= 1--      0.3779                 0.0469                 0.0457
 AlphaG Fr= 1--      0.0161                -0.0203                 0.0366
 Gamma2 Fr= 1--     -0.2970                -0.4586                -0.4530
 Delta2 Fr= 1--     -0.4562                 0.3714                -0.1225
 Raman1 Fr= 1--      10.851                  1.384                  6.839
 ROA1   Fr= 1--     -43.112                -32.139                -47.408
 CID1   Fr= 1--      -3.973                -23.229                 -6.932
 Raman2 Fr= 1--       4.534                  0.563                  0.549
 ROA2   Fr= 1--      -3.479                -13.977                 -9.893
 CID2   Fr= 1--      -0.767                -24.830                -18.032
 Raman3 Fr= 1--       9.068                  1.126                  1.097
 ROA3   Fr= 1--     -43.112                -32.139                -47.408
 CID3   Fr= 1--      -4.754                -28.548                -43.206
 RC180  Fr= 1--       0.671                  0.627                 -0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.07     0.03   0.03   0.22    -0.03  -0.01   0.09
     2   6    -0.02   0.02   0.03    -0.05  -0.02  -0.10     0.17   0.03  -0.06
     3   6    -0.07  -0.07   0.03     0.02   0.01  -0.07    -0.11  -0.08  -0.01
     4   6    -0.07  -0.01   0.04     0.02  -0.02  -0.05    -0.07   0.04  -0.01
     5   6    -0.06  -0.01  -0.00     0.00  -0.01  -0.10    -0.06   0.01  -0.04
     6   6    -0.04   0.04  -0.03    -0.03  -0.03   0.14     0.17   0.17   0.01
     7   6     0.03   0.09  -0.03    -0.02  -0.04   0.12     0.13   0.20   0.01
     8   6     0.04   0.06   0.02    -0.05  -0.01  -0.09     0.16  -0.01  -0.05
     9   6     0.08   0.00   0.00     0.02   0.03   0.23     0.01  -0.03   0.09
    10   6    -0.02  -0.05   0.02     0.01   0.03  -0.08    -0.09  -0.15   0.01
    11   6     0.11  -0.15  -0.05     0.03  -0.03  -0.01    -0.14   0.05  -0.01
    12   8     0.05   0.04   0.00     0.02   0.02  -0.03    -0.11  -0.11   0.01
    13   6     0.03  -0.02   0.00     0.00   0.00  -0.00    -0.02  -0.00   0.00
    14   1    -0.06  -0.01   0.19    -0.09  -0.05  -0.46     0.16   0.02  -0.18
    15   1    -0.11  -0.04   0.11    -0.00  -0.01  -0.34    -0.11  -0.09  -0.10
    16   1    -0.02   0.04   0.04    -0.04  -0.02   0.11     0.23   0.15   0.02
    17   1     0.09   0.06  -0.14    -0.03  -0.04   0.07     0.15   0.18  -0.04
    18   1    -0.02   0.01  -0.03    -0.07  -0.04  -0.44     0.09  -0.07  -0.20
    19   1    -0.09  -0.02   0.01    -0.01   0.02  -0.23    -0.08  -0.17  -0.08
    20   1     0.10  -0.16   0.05    -0.01  -0.05  -0.02    -0.16   0.05  -0.08
    21   6    -0.01  -0.04   0.05     0.01   0.01  -0.01    -0.02  -0.00   0.01
    22   6    -0.02   0.01  -0.10     0.07   0.01  -0.08    -0.08  -0.04  -0.03
    23   1     0.06  -0.08   0.01     0.02  -0.04  -0.01    -0.10   0.17  -0.01
    24   1    -0.02  -0.01   0.00    -0.01  -0.01   0.01     0.11  -0.03  -0.01
    25   1    -0.01  -0.02   0.00    -0.04   0.02   0.00     0.10  -0.02  -0.00
    26   1    -0.04   0.14  -0.04     0.06   0.07  -0.06     0.09  -0.05  -0.01
    27   1    -0.14  -0.10   0.34     0.01   0.00   0.05     0.11   0.06  -0.15
    28   1    -0.03   0.15  -0.02     0.02   0.04   0.04     0.01  -0.17   0.19
    29   8    -0.06   0.08  -0.03    -0.05   0.03  -0.00     0.01   0.09   0.00
    30   8    -0.02  -0.01   0.08    -0.04  -0.02   0.04     0.05  -0.08   0.00
    31   1     0.68  -0.17  -0.16     0.36  -0.07  -0.11    -0.18  -0.29   0.17
                     28                     29                     30
                      A                      A                      A
 Frequencies --    757.7788               778.6814               799.9287
 Red. masses --      5.5307                 2.5411                 3.3995
 Frc consts  --      1.8712                 0.9078                 1.2816
 IR Inten    --     23.8688                 2.3281                13.0185
 RamAct Fr= 1--     45.1652                 5.8864                39.6655
  Dep-P Fr= 1--      0.0766                 0.0945                 0.0972
  Dep-U Fr= 1--      0.1424                 0.1726                 0.1772
 Alpha2 Fr= 1--      0.8370                 0.1045                 0.6992
 Beta2  Fr= 1--      1.0715                 0.1693                 1.1713
 AlphaG Fr= 1--      0.1883                 0.1164                -0.5357
 Gamma2 Fr= 1--     -0.0914                 0.2979                -1.6835
 Delta2 Fr= 1--      0.1984                -0.1655                 0.2416
 Raman1 Fr= 1--     180.661                 23.546                158.662
 ROA1   Fr= 1--      -2.428                 23.296               -153.888
 CID1   Fr= 1--      -0.013                  0.989                 -0.970
 Raman2 Fr= 1--      12.859                  2.032                 14.056
 ROA2   Fr= 1--      -3.781                  8.473                -42.337
 CID2   Fr= 1--      -0.294                  4.169                 -3.012
 Raman3 Fr= 1--      25.717                  4.064                 28.112
 ROA3   Fr= 1--      -2.428                 23.296               -153.888
 CID3   Fr= 1--      -0.094                  5.732                 -5.474
 RC180  Fr= 1--      -0.715                 -0.655                 -0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03     0.01   0.01   0.11     0.00  -0.00   0.01
     2   6     0.12   0.07   0.01    -0.01   0.00  -0.12     0.03  -0.04  -0.05
     3   6    -0.00  -0.11   0.02    -0.02  -0.03  -0.01     0.09   0.09   0.00
     4   6     0.03  -0.10  -0.01     0.01  -0.01   0.19     0.05   0.09   0.09
     5   6    -0.04   0.11   0.03    -0.02  -0.00  -0.19    -0.04  -0.06  -0.03
     6   6     0.11   0.32  -0.05     0.01   0.05   0.01     0.02  -0.11   0.00
     7   6    -0.01  -0.26   0.01    -0.01  -0.05  -0.03     0.00   0.11  -0.09
     8   6    -0.03  -0.06  -0.01     0.00   0.01   0.10     0.01  -0.02  -0.02
     9   6    -0.09   0.04  -0.01    -0.00  -0.00  -0.09    -0.06  -0.01  -0.04
    10   6    -0.05   0.11  -0.02     0.02   0.03   0.04    -0.11  -0.08   0.01
    11   6     0.06  -0.06  -0.02     0.02  -0.03  -0.01    -0.07   0.03  -0.01
    12   8    -0.12  -0.11   0.03    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.04   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.00  -0.02  -0.01     0.00   0.02   0.26     0.13   0.04   0.19
    15   1    -0.02  -0.10   0.07    -0.09  -0.07  -0.49     0.17   0.01  -0.38
    16   1     0.13   0.31  -0.14     0.05   0.10   0.48     0.09  -0.12   0.19
    17   1     0.01  -0.25   0.16    -0.02  -0.09  -0.38    -0.07   0.19   0.25
    18   1     0.15   0.09   0.11     0.01   0.02  -0.07     0.01  -0.00   0.41
    19   1    -0.02   0.11   0.02     0.06   0.05   0.33    -0.13  -0.05   0.25
    20   1    -0.03  -0.11   0.02     0.04  -0.02   0.03    -0.16  -0.01  -0.09
    21   6     0.01  -0.02   0.00     0.01   0.00  -0.02    -0.03  -0.03   0.05
    22   6     0.22   0.05  -0.05    -0.07  -0.01   0.05     0.27   0.04  -0.11
    23   1    -0.15   0.22  -0.01    -0.01   0.02   0.02    -0.01   0.01   0.01
    24   1     0.05   0.02  -0.01     0.01  -0.00  -0.00    -0.01   0.01   0.00
    25   1     0.06   0.02  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    26   1     0.01   0.13  -0.08    -0.04   0.02  -0.01     0.08   0.02  -0.03
    27   1    -0.07  -0.06   0.21    -0.04  -0.02   0.04     0.05   0.00   0.03
    28   1    -0.00   0.13  -0.03    -0.00   0.06  -0.09    -0.01  -0.11   0.21
    29   8    -0.04  -0.07   0.04     0.03  -0.01  -0.01    -0.06  -0.03   0.05
    30   8    -0.07   0.07   0.03     0.02   0.03  -0.01    -0.07   0.01   0.03
    31   1     0.23   0.23  -0.15    -0.09   0.04   0.03     0.17   0.10  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.9915               818.0111               842.1863
 Red. masses --      1.9202                 1.6897                 2.3354
 Frc consts  --      0.7514                 0.6662                 0.9760
 IR Inten    --      5.0373                16.9108                 0.6158
 RamAct Fr= 1--      1.7429                 1.5861                 2.9116
  Dep-P Fr= 1--      0.5274                 0.2466                 0.1906
  Dep-U Fr= 1--      0.6906                 0.3956                 0.3202
 Alpha2 Fr= 1--      0.0075                 0.0190                 0.0405
 Beta2  Fr= 1--      0.2006                 0.1046                 0.1554
 AlphaG Fr= 1--     -0.0436                 0.0046                 0.0120
 Gamma2 Fr= 1--      0.8336                 0.6092                 1.4284
 Delta2 Fr= 1--     -0.2733                -0.3638                -0.0145
 Raman1 Fr= 1--       6.972                  6.344                 11.646
 ROA1   Fr= 1--      71.284                 46.842                136.662
 CID1   Fr= 1--      10.225                  7.383                 11.734
 Raman2 Fr= 1--       2.407                  1.255                  1.865
 ROA2   Fr= 1--      22.193                 17.531                 34.398
 CID2   Fr= 1--       9.220                 13.969                 18.446
 Raman3 Fr= 1--       4.814                  2.510                  3.730
 ROA3   Fr= 1--      71.284                 46.842                136.662
 CID3   Fr= 1--      14.807                 18.663                 36.644
 RC180  Fr= 1--       0.381                 -0.209                 -0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.01   0.01   0.09     0.01  -0.01  -0.06
     2   6    -0.03   0.00  -0.03    -0.01  -0.01  -0.10     0.02   0.01   0.03
     3   6    -0.05  -0.03   0.04     0.01   0.01  -0.00     0.05   0.02   0.04
     4   6    -0.02  -0.02   0.05    -0.00  -0.00  -0.09     0.03   0.01   0.05
     5   6     0.03   0.03   0.01     0.01   0.01   0.12    -0.03  -0.02  -0.04
     6   6    -0.02   0.03  -0.02    -0.01  -0.02  -0.10     0.01  -0.00   0.03
     7   6    -0.02  -0.06  -0.07     0.01   0.01   0.03     0.00   0.02  -0.08
     8   6    -0.01  -0.02  -0.08    -0.00   0.00  -0.03    -0.01   0.01  -0.08
     9   6     0.04   0.01   0.05    -0.00   0.00   0.02    -0.00   0.01   0.12
    10   6     0.07   0.03  -0.03    -0.01  -0.00   0.03    -0.05  -0.02   0.01
    11   6     0.03   0.09   0.07    -0.01  -0.04  -0.03     0.01  -0.13  -0.04
    12   8     0.01   0.01   0.00    -0.00  -0.00  -0.02    -0.01  -0.01   0.02
    13   6     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.03   0.01   0.23     0.07   0.07   0.64     0.00  -0.01  -0.17
    15   1    -0.14  -0.05  -0.30     0.02   0.01   0.03     0.05  -0.03  -0.36
    16   1    -0.04   0.07   0.15     0.06   0.04   0.52     0.04  -0.04  -0.13
    17   1     0.07  -0.02   0.53     0.01   0.02   0.08     0.06   0.09   0.54
    18   1     0.05   0.05   0.48    -0.00   0.00  -0.03     0.03   0.06   0.36
    19   1     0.11   0.02  -0.04    -0.08  -0.04  -0.45    -0.11  -0.01  -0.12
    20   1     0.08   0.12   0.01    -0.02  -0.05  -0.00    -0.02  -0.15   0.06
    21   6    -0.00   0.02   0.04     0.00  -0.00  -0.02     0.03   0.02  -0.11
    22   6    -0.03   0.00  -0.06    -0.01  -0.00   0.03    -0.12  -0.03   0.10
    23   1     0.02  -0.02   0.01    -0.00   0.01   0.03    -0.02   0.03  -0.01
    24   1     0.01  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.01   0.00
    25   1     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.01   0.00
    26   1    -0.05  -0.18   0.18     0.02   0.07  -0.07     0.05   0.23  -0.24
    27   1     0.03   0.04  -0.17    -0.01  -0.01   0.06    -0.05  -0.03   0.18
    28   1     0.00  -0.08  -0.04    -0.00   0.04   0.01     0.02   0.18  -0.08
    29   8    -0.03   0.06  -0.03     0.01  -0.02   0.01     0.05  -0.03   0.00
    30   8     0.01  -0.10  -0.01     0.00   0.04   0.00     0.02   0.08  -0.00
    31   1     0.05  -0.23   0.02    -0.03   0.08   0.00    -0.09   0.12   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    851.6811               896.3611               917.0133
 Red. masses --      3.1362                 1.7087                 1.5513
 Frc consts  --      1.3403                 0.8089                 0.7686
 IR Inten    --      3.4490                33.1949                11.2392
 RamAct Fr= 1--     14.8495                 2.3964                 3.0041
  Dep-P Fr= 1--      0.0507                 0.7332                 0.5277
  Dep-U Fr= 1--      0.0965                 0.8461                 0.6908
 Alpha2 Fr= 1--      0.2929                 0.0007                 0.0130
 Beta2  Fr= 1--      0.2387                 0.3379                 0.3459
 AlphaG Fr= 1--      0.3610                 0.0012                -0.0920
 Gamma2 Fr= 1--     -2.5176                -0.3217                -0.6398
 Delta2 Fr= 1--     -0.2228                -0.3415                -0.5609
 Raman1 Fr= 1--      59.398                  9.586                 12.016
 ROA1   Fr= 1--    -248.817                -41.810                -79.369
 CID1   Fr= 1--      -4.189                 -4.362                 -6.605
 Raman2 Fr= 1--       2.865                  4.055                  4.151
 ROA2   Fr= 1--     -58.639                 -4.988                -10.868
 CID2   Fr= 1--     -20.470                 -1.230                 -2.618
 Raman3 Fr= 1--       5.729                  8.110                  8.301
 ROA3   Fr= 1--    -248.817                -41.810                -79.369
 CID3   Fr= 1--     -43.428                 -5.155                 -9.561
 RC180  Fr= 1--      -0.807                  0.692                  0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.01   0.01   0.09    -0.00   0.00   0.01
     2   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.06
     3   6     0.17   0.06  -0.04    -0.02  -0.02  -0.18    -0.01   0.00   0.01
     4   6     0.08   0.03  -0.02     0.01   0.01   0.11    -0.01   0.00  -0.03
     5   6    -0.08  -0.04   0.03    -0.00  -0.00  -0.03     0.01   0.01   0.08
     6   6     0.03   0.01  -0.01     0.00  -0.00   0.02     0.00  -0.01   0.01
     7   6    -0.06  -0.02   0.03    -0.00  -0.00  -0.05     0.01   0.01   0.01
     8   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.01   0.00
     9   6    -0.01   0.03  -0.02    -0.00   0.00   0.02    -0.01   0.01   0.07
    10   6    -0.16  -0.07   0.02     0.00   0.00   0.00    -0.02  -0.00  -0.16
    11   6     0.17   0.05   0.09    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    12   8    -0.04  -0.06   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    13   6    -0.07   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.04   0.00   0.04     0.01   0.00   0.03     0.06   0.04   0.41
    15   1     0.35   0.01   0.06     0.08   0.09   0.87    -0.01   0.01   0.02
    16   1     0.15  -0.03   0.01    -0.00  -0.00  -0.01    -0.02  -0.03  -0.22
    17   1    -0.16   0.01  -0.09     0.02   0.02   0.12    -0.01   0.01  -0.02
    18   1    -0.11   0.00  -0.05     0.04   0.04   0.36     0.01  -0.02  -0.06
    19   1    -0.34  -0.01   0.04     0.01   0.00   0.03     0.10   0.08   0.83
    20   1     0.18   0.06   0.20    -0.01  -0.02   0.01    -0.03  -0.04   0.06
    21   6     0.07   0.02   0.02     0.00   0.00  -0.02     0.02   0.01  -0.04
    22   6    -0.09   0.01  -0.03    -0.01  -0.00   0.01    -0.02  -0.01   0.01
    23   1    -0.09   0.10   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    24   1    -0.03   0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.03   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    26   1    -0.21  -0.17   0.24     0.01   0.03  -0.03     0.01   0.07  -0.07
    27   1    -0.14  -0.07   0.00     0.00   0.00   0.01    -0.02  -0.00   0.04
    28   1     0.01   0.17  -0.39     0.00   0.02   0.00     0.01   0.05  -0.04
    29   8    -0.02   0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8     0.03  -0.10  -0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    31   1     0.03  -0.24   0.03    -0.00   0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.9969               949.5309               961.9769
 Red. masses --      3.7074                 1.3762                 1.3341
 Frc consts  --      1.9178                 0.7310                 0.7274
 IR Inten    --     11.9293                 2.6233                 0.8659
 RamAct Fr= 1--      6.3025                 2.1228                 1.8037
  Dep-P Fr= 1--      0.4348                 0.7334                 0.5961
  Dep-U Fr= 1--      0.6061                 0.8462                 0.7470
 Alpha2 Fr= 1--      0.0410                 0.0006                 0.0052
 Beta2  Fr= 1--      0.6367                 0.2994                 0.2245
 AlphaG Fr= 1--      0.1123                 0.0013                 0.0941
 Gamma2 Fr= 1--      3.1640                 0.2272                 1.1188
 Delta2 Fr= 1--     -1.8353                 0.0461                 0.1406
 Raman1 Fr= 1--      25.210                  8.491                  7.215
 ROA1   Fr= 1--     245.015                 23.284                111.904
 CID1   Fr= 1--       9.719                  2.742                 15.510
 Raman2 Fr= 1--       7.640                  3.593                  2.695
 ROA2   Fr= 1--      90.619                  5.084                 25.727
 CID2   Fr= 1--      11.861                  1.415                  9.548
 Raman3 Fr= 1--      15.280                  7.186                  5.389
 ROA3   Fr= 1--     245.015                 23.284                111.904
 CID3   Fr= 1--      16.035                  3.240                 20.765
 RC180  Fr= 1--       0.212                  0.692                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.03  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.01
     2   6    -0.12   0.19  -0.03     0.00   0.03   0.09    -0.01   0.01  -0.01
     3   6     0.11  -0.12  -0.00     0.01  -0.01  -0.01     0.00  -0.01   0.03
     4   6     0.05  -0.07   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     5   6     0.03  -0.06   0.01     0.01  -0.00   0.05     0.00  -0.00  -0.01
     6   6    -0.03   0.04   0.02    -0.01  -0.01  -0.12     0.00  -0.00   0.02
     7   6    -0.04   0.02  -0.01     0.00   0.01   0.01     0.01   0.02   0.11
     8   6    -0.13   0.20  -0.00    -0.01   0.01  -0.02    -0.01  -0.01  -0.12
     9   6     0.12  -0.03   0.01     0.01  -0.00   0.03     0.00  -0.00   0.01
    10   6     0.09  -0.13  -0.02     0.00  -0.01  -0.07     0.01   0.00   0.01
    11   6    -0.06   0.01  -0.06    -0.01  -0.01   0.01    -0.00  -0.01   0.01
    12   8    -0.01  -0.07   0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
    13   6    -0.08   0.08   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    14   1    -0.18   0.15   0.15    -0.06  -0.04  -0.54    -0.00   0.02   0.05
    15   1     0.20  -0.16   0.02     0.01  -0.01   0.03    -0.00  -0.02  -0.10
    16   1     0.15  -0.04  -0.17     0.09   0.06   0.73     0.00  -0.02  -0.10
    17   1     0.18  -0.05   0.07     0.00  -0.00  -0.06    -0.07  -0.07  -0.67
    18   1    -0.23   0.13  -0.05    -0.00   0.02   0.10     0.07   0.08   0.68
    19   1     0.14  -0.14   0.14     0.05   0.02   0.32     0.01  -0.01  -0.05
    20   1     0.03   0.06  -0.24    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    21   6    -0.08  -0.01   0.03     0.00   0.01  -0.01    -0.00   0.00  -0.01
    22   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   1    -0.10   0.12   0.00    -0.01   0.01  -0.01    -0.00   0.01   0.00
    24   1    -0.04   0.06   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.04   0.06  -0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    26   1     0.14  -0.05  -0.04     0.01   0.02  -0.03     0.01   0.02  -0.02
    27   1     0.17   0.10  -0.17     0.01   0.01  -0.00     0.01   0.01   0.00
    28   1    -0.02  -0.29   0.35     0.00  -0.00   0.01     0.00   0.00   0.01
    29   8     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8    -0.00   0.02   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.01   0.05   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    980.5783              1013.3083              1064.4489
 Red. masses --      3.5449                 2.0895                 1.9344
 Frc consts  --      2.0083                 1.2641                 1.2913
 IR Inten    --      0.9238                41.9814                55.0189
 RamAct Fr= 1--     18.0804                 7.8726                 9.2137
  Dep-P Fr= 1--      0.1314                 0.4183                 0.4385
  Dep-U Fr= 1--      0.2323                 0.5899                 0.6097
 Alpha2 Fr= 1--      0.2929                 0.0545                 0.0591
 Beta2  Fr= 1--      0.6999                 0.7740                 0.9362
 AlphaG Fr= 1--     -0.2840                 0.1949                 0.1843
 Gamma2 Fr= 1--     -1.2463                 0.8733                -0.9528
 Delta2 Fr= 1--     -0.7331                 1.9360                -0.9905
 Raman1 Fr= 1--      72.321                 31.491                 36.855
 ROA1   Fr= 1--    -143.102                145.787               -123.162
 CID1   Fr= 1--      -1.979                  4.630                 -3.342
 Raman2 Fr= 1--       8.399                  9.288                 11.235
 ROA2   Fr= 1--     -24.046                  5.471                -14.943
 CID2   Fr= 1--      -2.863                  0.589                 -1.330
 Raman3 Fr= 1--      16.798                 18.576                 22.469
 ROA3   Fr= 1--    -143.102                145.787               -123.162
 CID3   Fr= 1--      -8.519                  7.848                 -5.481
 RC180  Fr= 1--      -0.535                  0.180                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.06   0.23  -0.02    -0.02  -0.00   0.00     0.01  -0.01  -0.00
     3   6    -0.01  -0.22   0.02     0.00   0.00   0.00     0.00   0.01  -0.00
     4   6     0.00   0.03  -0.00     0.00  -0.02   0.00    -0.01   0.01   0.00
     5   6     0.01  -0.03  -0.00     0.03   0.00  -0.01    -0.03  -0.01   0.00
     6   6     0.00  -0.12   0.02    -0.01   0.02   0.00     0.00   0.00  -0.00
     7   6     0.00   0.13  -0.02     0.01  -0.01  -0.00    -0.03  -0.01   0.01
     8   6     0.05  -0.17   0.03    -0.03   0.08   0.01     0.02  -0.07   0.00
     9   6    -0.09  -0.00  -0.01    -0.01  -0.02  -0.04     0.07   0.04  -0.01
    10   6     0.03   0.18  -0.00     0.04  -0.07   0.02    -0.02   0.06  -0.01
    11   6    -0.00  -0.00   0.06    -0.09   0.02   0.15     0.07   0.08  -0.08
    12   8    -0.00  -0.04   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    13   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    14   1     0.07   0.34  -0.03    -0.04  -0.02   0.01    -0.01  -0.03   0.00
    15   1     0.06  -0.25   0.02    -0.02   0.01  -0.00    -0.01   0.01   0.00
    16   1     0.34  -0.26  -0.03    -0.06   0.04  -0.01     0.02  -0.01   0.01
    17   1    -0.28   0.25   0.05     0.16  -0.06  -0.01    -0.21   0.05   0.01
    18   1    -0.06  -0.26  -0.04    -0.01   0.09  -0.07    -0.01  -0.10   0.03
    19   1     0.03   0.17  -0.12     0.15  -0.13  -0.10    -0.24   0.16   0.06
    20   1    -0.04  -0.02   0.19    -0.14  -0.03   0.61     0.28   0.16   0.09
    21   6     0.05   0.02  -0.03     0.03  -0.00  -0.13    -0.11  -0.10  -0.00
    22   6     0.02   0.02  -0.02     0.05   0.09  -0.00    -0.04   0.07   0.06
    23   1    -0.07   0.08  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    24   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    25   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    26   1    -0.07   0.04   0.00     0.05   0.37  -0.35     0.22   0.27  -0.34
    27   1    -0.08  -0.04   0.06    -0.04  -0.04   0.28     0.13  -0.01   0.27
    28   1     0.02   0.17  -0.20     0.02   0.25  -0.02    -0.05  -0.15   0.51
    29   8    -0.01   0.00  -0.01    -0.03   0.01  -0.02     0.01   0.01  -0.01
    30   8    -0.00  -0.02  -0.00     0.01  -0.11  -0.01     0.02  -0.09  -0.00
    31   1     0.00  -0.02  -0.00    -0.05   0.06  -0.04    -0.06   0.19  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.1747              1106.1044              1159.9581
 Red. masses --      3.5758                 2.1296                 1.8478
 Frc consts  --      2.4174                 1.5351                 1.4648
 IR Inten    --     50.5665                10.3560                33.7692
 RamAct Fr= 1--      3.7326                 4.8635                17.4457
  Dep-P Fr= 1--      0.1166                 0.2150                 0.2452
  Dep-U Fr= 1--      0.2089                 0.3539                 0.3939
 Alpha2 Fr= 1--      0.0627                 0.0635                 0.2095
 Beta2  Fr= 1--      0.1300                 0.2868                 1.1452
 AlphaG Fr= 1--      0.0399                -0.1819                 0.0313
 Gamma2 Fr= 1--      0.4288                -0.1907                 2.2233
 Delta2 Fr= 1--     -0.3113                 1.8355                -2.1188
 Raman1 Fr= 1--      14.931                 19.454                 69.783
 ROA1   Fr= 1--      31.205                 40.435                145.638
 CID1   Fr= 1--       2.090                  2.078                  2.087
 Raman2 Fr= 1--       1.560                  3.442                 13.743
 ROA2   Fr= 1--      12.781                -19.260                 70.311
 CID2   Fr= 1--       8.196                 -5.596                  5.116
 Raman3 Fr= 1--       3.119                  6.884                 27.486
 ROA3   Fr= 1--      31.205                 40.435                145.638
 CID3   Fr= 1--      10.005                  5.874                  5.299
 RC180  Fr= 1--      -0.582                 -0.292                 -0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16  -0.06   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.00
     2   6    -0.03   0.10  -0.01    -0.02   0.01   0.00     0.05   0.02  -0.01
     3   6     0.04  -0.08   0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     4   6     0.06   0.04  -0.01    -0.02   0.02   0.00     0.03   0.01  -0.00
     5   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01   0.09  -0.01
     6   6     0.03   0.02  -0.01     0.01  -0.00  -0.00    -0.04  -0.08   0.01
     7   6    -0.01  -0.05   0.01    -0.02  -0.02   0.00     0.01  -0.00  -0.00
     8   6    -0.02   0.03  -0.00    -0.00  -0.01  -0.01    -0.01   0.07  -0.01
     9   6     0.01   0.01   0.00     0.03   0.04   0.03    -0.13  -0.07   0.03
    10   6    -0.03  -0.04   0.00     0.04  -0.06  -0.01    -0.05  -0.03   0.00
    11   6     0.02   0.02  -0.02    -0.06   0.17  -0.16     0.06  -0.00  -0.06
    12   8    -0.15   0.21  -0.00     0.02  -0.01  -0.00     0.02  -0.01  -0.00
    13   6     0.18  -0.21   0.00    -0.01   0.02  -0.00    -0.03   0.00   0.00
    14   1     0.12   0.23  -0.04    -0.04  -0.00   0.00     0.47   0.35  -0.08
    15   1     0.64  -0.33  -0.03     0.02  -0.02   0.00    -0.07  -0.04   0.01
    16   1     0.24  -0.05  -0.02    -0.00   0.00   0.00    -0.32   0.02   0.03
    17   1    -0.06  -0.03   0.01    -0.04  -0.02   0.01     0.12  -0.04  -0.00
    18   1     0.05   0.08  -0.01    -0.00  -0.01   0.04     0.23   0.28  -0.05
    19   1    -0.09  -0.01   0.03     0.12  -0.09   0.03     0.32  -0.17  -0.00
    20   1     0.02   0.02  -0.01    -0.39   0.02  -0.06     0.30   0.11  -0.08
    21   6    -0.01  -0.02   0.01     0.09  -0.12   0.07     0.00  -0.02   0.03
    22   6    -0.01   0.01   0.01    -0.02  -0.03   0.01    -0.00   0.05   0.03
    23   1     0.16  -0.17   0.00    -0.00   0.00   0.00    -0.05   0.04  -0.00
    24   1     0.09  -0.14  -0.01    -0.01   0.01   0.00     0.04   0.00  -0.01
    25   1     0.10  -0.14   0.02    -0.01   0.01  -0.00     0.05  -0.00   0.00
    26   1     0.02   0.02  -0.03    -0.26   0.07   0.11    -0.00  -0.02   0.03
    27   1     0.00  -0.01   0.05    -0.31  -0.30   0.48    -0.00  -0.02   0.01
    28   1    -0.01  -0.02   0.06     0.01   0.34  -0.27    -0.00  -0.00  -0.02
    29   8     0.00   0.00  -0.00     0.02   0.00   0.02    -0.01   0.01  -0.01
    30   8     0.00  -0.01   0.00     0.00   0.00   0.00     0.02  -0.05   0.01
    31   1    -0.01   0.03  -0.01    -0.03   0.10  -0.02    -0.06   0.23  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.6567              1173.6540              1187.6683
 Red. masses --      1.2713                 1.7436                 1.7069
 Frc consts  --      1.0300                 1.4150                 1.4186
 IR Inten    --      0.7728                50.0334                60.2547
 RamAct Fr= 1--      0.7180                21.4902                 2.3237
  Dep-P Fr= 1--      0.7500                 0.1478                 0.4630
  Dep-U Fr= 1--      0.8571                 0.2575                 0.6329
 Alpha2 Fr= 1--      0.0000                 0.3341                 0.0135
 Beta2  Fr= 1--      0.1026                 0.9223                 0.2451
 AlphaG Fr= 1--     -0.0003                -0.1553                -0.0117
 Gamma2 Fr= 1--     -0.0946                 2.1125                 0.3167
 Delta2 Fr= 1--      0.0092                 0.6418                 0.5565
 Raman1 Fr= 1--       2.872                 85.961                  9.295
 ROA1   Fr= 1--      -8.784                223.333                 48.214
 CID1   Fr= 1--      -3.059                  2.598                  5.187
 Raman2 Fr= 1--       1.231                 11.068                  2.942
 ROA2   Fr= 1--      -2.343                 45.564                  3.149
 CID2   Fr= 1--      -1.904                  4.117                  1.071
 Raman3 Fr= 1--       2.462                 22.136                  5.883
 ROA3   Fr= 1--      -8.784                223.333                 48.214
 CID3   Fr= 1--      -3.568                 10.089                  8.195
 RC180  Fr= 1--       0.714                 -0.485                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.04   0.03  -0.01    -0.09  -0.00   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.04   0.00    -0.03  -0.01   0.00
     3   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.00   0.03  -0.00
     4   6     0.00  -0.00  -0.00     0.02  -0.07   0.01    -0.12   0.06   0.01
     5   6    -0.00   0.00   0.00    -0.03  -0.01   0.00    -0.07   0.03   0.00
     6   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.06  -0.01  -0.00
     7   6     0.00   0.00  -0.00     0.07   0.08  -0.01     0.04  -0.04   0.00
     8   6    -0.00   0.00   0.00    -0.07  -0.01   0.00    -0.01  -0.02   0.00
     9   6    -0.00  -0.00   0.00    -0.07  -0.04   0.02    -0.04   0.01   0.00
    10   6     0.00   0.00  -0.00     0.01   0.06  -0.01     0.03   0.01  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.03  -0.01  -0.00
    12   8     0.00   0.01   0.06    -0.06   0.04   0.00     0.07  -0.06  -0.00
    13   6    -0.01  -0.01  -0.14     0.01  -0.06   0.01     0.01   0.09  -0.01
    14   1    -0.00  -0.00   0.01    -0.24  -0.22   0.05    -0.04  -0.02   0.01
    15   1    -0.00   0.00   0.01    -0.13   0.10   0.00     0.51  -0.18  -0.03
    16   1     0.00  -0.00  -0.00     0.20  -0.05  -0.01     0.39  -0.14  -0.03
    17   1     0.01  -0.00  -0.00     0.48  -0.07  -0.04     0.42  -0.18  -0.02
    18   1    -0.01  -0.01   0.00    -0.45  -0.31   0.09     0.03   0.01  -0.01
    19   1     0.01  -0.00  -0.00     0.18   0.00  -0.00     0.24  -0.07  -0.02
    20   1     0.00   0.00  -0.00     0.13   0.05  -0.07     0.08   0.02  -0.01
    21   6     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.01  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.05   0.02    -0.00   0.01   0.00
    23   1     0.03   0.03   0.28    -0.09   0.15  -0.01     0.19  -0.28   0.01
    24   1     0.41  -0.50   0.19     0.08  -0.02  -0.03    -0.17   0.05   0.06
    25   1    -0.37   0.53   0.17     0.10  -0.04   0.01    -0.17   0.04  -0.03
    26   1    -0.00  -0.00   0.00    -0.04  -0.04   0.07     0.03   0.01  -0.02
    27   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.02     0.03   0.02  -0.01
    28   1     0.00   0.00  -0.00     0.00   0.02  -0.09    -0.01  -0.02   0.03
    29   8    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00     0.02  -0.05   0.02     0.00  -0.01   0.00
    31   1    -0.00   0.01  -0.00    -0.07   0.29  -0.06    -0.01   0.03  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3493              1199.0356              1206.7726
 Red. masses --      1.4858                 1.4665                 1.7066
 Frc consts  --      1.2383                 1.2422                 1.4643
 IR Inten    --     69.0476                74.3854                 8.7596
 RamAct Fr= 1--     11.0323                57.3301                 3.1689
  Dep-P Fr= 1--      0.6572                 0.1692                 0.3933
  Dep-U Fr= 1--      0.7932                 0.2894                 0.5646
 Alpha2 Fr= 1--      0.0183                 0.8438                 0.0240
 Beta2  Fr= 1--      1.4584                 2.7655                 0.2982
 AlphaG Fr= 1--     -0.0298                 0.8642                 0.0394
 Gamma2 Fr= 1--     -0.7091                 5.7780                 1.4070
 Delta2 Fr= 1--      0.8723                -3.5335                 0.6837
 Raman1 Fr= 1--      44.129                229.320                 12.675
 ROA1   Fr= 1--     -40.159                441.615                156.949
 CID1   Fr= 1--      -0.910                  1.926                 12.382
 Raman2 Fr= 1--      17.501                 33.186                  3.578
 ROA2   Fr= 1--     -23.997                166.939                 28.299
 CID2   Fr= 1--      -1.371                  5.030                  7.909
 Raman3 Fr= 1--      35.002                 66.372                  7.156
 ROA3   Fr= 1--     -40.159                441.615                156.949
 CID3   Fr= 1--      -1.147                  6.654                 21.932
 RC180  Fr= 1--       0.586                 -0.421                  0.129
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.00     0.04   0.01  -0.01     0.03   0.06  -0.01
     2   6    -0.03   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.03   0.00
     3   6    -0.03   0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     4   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.09   0.06   0.00
     5   6     0.03  -0.04   0.00    -0.02   0.01   0.00    -0.06   0.03   0.00
     6   6     0.02   0.02  -0.00     0.03  -0.02  -0.00     0.01  -0.03   0.00
     7   6    -0.03   0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.05   0.01
     8   6     0.04   0.02  -0.01     0.00   0.03  -0.00     0.02  -0.02   0.00
     9   6    -0.02  -0.01   0.02    -0.09  -0.02   0.00     0.05   0.06  -0.01
    10   6     0.00  -0.01  -0.00     0.01  -0.01   0.00     0.03  -0.03  -0.00
    11   6    -0.03  -0.07  -0.04     0.07   0.06   0.02    -0.02  -0.05   0.00
    12   8    -0.02  -0.02   0.00    -0.03   0.02   0.00     0.05   0.04  -0.01
    13   6     0.04   0.03  -0.01    -0.00  -0.03   0.00    -0.10  -0.07   0.02
    14   1    -0.30  -0.20   0.05    -0.30  -0.24   0.05    -0.08  -0.10   0.02
    15   1    -0.15   0.07   0.01    -0.19   0.08   0.01     0.27  -0.12  -0.02
    16   1     0.28  -0.07  -0.02     0.39  -0.16  -0.02     0.09  -0.07  -0.00
    17   1    -0.37   0.13   0.03    -0.15   0.07   0.01    -0.09  -0.03   0.01
    18   1     0.34   0.27  -0.06     0.27   0.26  -0.07     0.20   0.12  -0.03
    19   1    -0.01  -0.01   0.02     0.35  -0.15  -0.05     0.06  -0.04   0.00
    20   1     0.04  -0.04  -0.09     0.17   0.11   0.04    -0.12  -0.10  -0.03
    21   6     0.03   0.03   0.03    -0.03  -0.04  -0.01     0.00   0.03   0.00
    22   6     0.01   0.08   0.03    -0.02  -0.06  -0.02     0.00   0.03   0.01
    23   1     0.13  -0.17   0.00    -0.08   0.12  -0.00    -0.37   0.50  -0.01
    24   1    -0.14   0.03   0.04     0.06  -0.02  -0.02     0.35  -0.06  -0.10
    25   1    -0.15   0.02  -0.02     0.06  -0.01   0.01     0.37  -0.04   0.04
    26   1    -0.05  -0.10   0.13     0.06   0.10  -0.12    -0.00  -0.06   0.05
    27   1    -0.05   0.00  -0.13     0.06  -0.01   0.12    -0.00   0.03  -0.10
    28   1     0.01  -0.02  -0.15    -0.02   0.03   0.13     0.00  -0.04  -0.04
    29   8    -0.02   0.02  -0.03     0.02  -0.02   0.02    -0.01   0.01  -0.02
    30   8     0.03  -0.07   0.03    -0.02   0.05  -0.03     0.01  -0.03   0.02
    31   1    -0.11   0.42  -0.08     0.09  -0.34   0.07    -0.05   0.19  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1260.8625              1296.9268              1304.8106
 Red. masses --      1.8117                 1.7765                 2.7008
 Frc consts  --      1.6969                 1.7605                 2.7092
 IR Inten    --     74.2116                21.5172               247.5652
 RamAct Fr= 1--     39.6717                 9.2369                18.1522
  Dep-P Fr= 1--      0.2110                 0.1642                 0.1750
  Dep-U Fr= 1--      0.3485                 0.2821                 0.2978
 Alpha2 Fr= 1--      0.5232                 0.1377                 0.2632
 Beta2  Fr= 1--      2.3040                 0.4343                 0.9010
 AlphaG Fr= 1--      0.2699                 0.0808                -0.1011
 Gamma2 Fr= 1--      4.8356                -5.2037                -3.4895
 Delta2 Fr= 1--     -0.6045                -0.2537                -1.1374
 Raman1 Fr= 1--     158.687                 36.947                 72.609
 ROA1   Fr= 1--     444.878               -507.668               -371.389
 CID1   Fr= 1--       2.803                -13.740                 -5.115
 Raman2 Fr= 1--      27.648                  5.211                 10.812
 ROA2   Fr= 1--     120.892               -122.858                -74.649
 CID2   Fr= 1--       4.373                -23.575                 -6.904
 Raman3 Fr= 1--      55.296                 10.423                 21.623
 ROA3   Fr= 1--     444.878               -507.668               -371.389
 CID3   Fr= 1--       8.045                -48.708                -17.175
 RC180  Fr= 1--      -0.303                 -0.436                 -0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.01     0.03   0.05  -0.01     0.22   0.12  -0.03
     2   6    -0.02   0.03  -0.00     0.05  -0.00  -0.00     0.03   0.03  -0.01
     3   6    -0.04   0.04   0.00     0.05   0.04  -0.01     0.02  -0.04   0.00
     4   6    -0.03  -0.02   0.01    -0.07  -0.14   0.02    -0.11   0.11   0.00
     5   6     0.14  -0.10  -0.00    -0.08  -0.12   0.02     0.01   0.04  -0.01
     6   6     0.01   0.05  -0.01    -0.01   0.04  -0.00     0.00  -0.10   0.01
     7   6    -0.02   0.05  -0.00    -0.01   0.06  -0.01    -0.01  -0.03   0.00
     8   6     0.01   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.04   0.01
     9   6    -0.08  -0.10   0.03    -0.02   0.02  -0.00     0.00  -0.00   0.00
    10   6    -0.01   0.04  -0.00     0.05   0.05  -0.01     0.02  -0.03  -0.00
    11   6    -0.03   0.02  -0.02     0.01   0.00   0.01    -0.02  -0.01  -0.01
    12   8     0.07   0.00  -0.01    -0.04  -0.01   0.00    -0.16  -0.02   0.02
    13   6    -0.05  -0.00   0.01     0.02  -0.00  -0.00     0.10  -0.02  -0.01
    14   1    -0.25  -0.15   0.04     0.03  -0.02  -0.00    -0.24  -0.20   0.04
    15   1     0.37  -0.13  -0.02     0.46  -0.12  -0.03     0.12  -0.07  -0.01
    16   1    -0.20   0.14   0.01    -0.44   0.20   0.02    -0.39   0.04   0.04
    17   1     0.21  -0.03  -0.02    -0.36   0.19   0.02     0.38  -0.18  -0.02
    18   1     0.18   0.15  -0.03     0.08   0.04  -0.01     0.27   0.18  -0.05
    19   1    -0.44   0.19   0.04     0.51  -0.12  -0.05    -0.33   0.10   0.03
    20   1     0.38   0.20   0.02    -0.01  -0.01  -0.02     0.09   0.04  -0.00
    21   6     0.03  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.00   0.00
    22   6     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    23   1    -0.12   0.15  -0.00     0.04  -0.04  -0.00     0.09  -0.04  -0.01
    24   1     0.13  -0.02  -0.03    -0.06   0.01   0.01    -0.27   0.04   0.04
    25   1     0.14  -0.01   0.01    -0.06   0.01  -0.00    -0.28   0.04   0.00
    26   1    -0.05   0.03   0.01     0.01   0.02  -0.02    -0.01  -0.01   0.01
    27   1    -0.05  -0.05   0.07     0.02   0.01  -0.01    -0.03  -0.01   0.01
    28   1     0.01   0.05  -0.06    -0.01   0.03   0.00     0.01  -0.01  -0.02
    29   8     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   8    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    31   1     0.02  -0.10   0.02    -0.01   0.05  -0.01     0.02  -0.08   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1323.9740              1347.0919              1349.2066
 Red. masses --      1.8706                 1.4375                 2.1221
 Frc consts  --      1.9320                 1.5369                 2.2760
 IR Inten    --      2.3585                 3.7775                27.7952
 RamAct Fr= 1--     10.9154                 7.7329                 1.6988
  Dep-P Fr= 1--      0.3247                 0.7290                 0.6545
  Dep-U Fr= 1--      0.4903                 0.8433                 0.7911
 Alpha2 Fr= 1--      0.1038                 0.0028                 0.0029
 Beta2  Fr= 1--      0.8919                 1.0868                 0.2240
 AlphaG Fr= 1--      0.3662                 0.0338                 0.0257
 Gamma2 Fr= 1--      5.8053                -2.7430                 0.3574
 Delta2 Fr= 1--     -2.1006                 1.3088                 0.4733
 Raman1 Fr= 1--      43.662                 30.932                  6.795
 ROA1   Fr= 1--     490.090               -221.447                 49.453
 CID1   Fr= 1--      11.225                 -7.159                  7.277
 Raman2 Fr= 1--      10.703                 13.042                  2.688
 ROA2   Fr= 1--     156.132                -76.303                  4.790
 CID2   Fr= 1--      14.588                 -5.850                  1.782
 Raman3 Fr= 1--      21.406                 26.084                  5.376
 ROA3   Fr= 1--     490.090               -221.447                 49.453
 CID3   Fr= 1--      22.895                 -8.490                  9.199
 RC180  Fr= 1--      -0.019                  0.687                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.02   0.01   0.00
     2   6     0.02  -0.03   0.00    -0.01   0.01  -0.00    -0.01   0.01   0.00
     3   6     0.04   0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.00
     4   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.11   0.03   0.01     0.05  -0.01  -0.01     0.03  -0.01  -0.00
     6   6    -0.03   0.00   0.00     0.02  -0.01  -0.00     0.02   0.00  -0.00
     7   6    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.02   0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00  -0.01  -0.00    -0.01  -0.01   0.00
     9   6     0.10  -0.03   0.01    -0.04   0.03   0.01    -0.03   0.03   0.00
    10   6     0.03   0.04  -0.01    -0.02  -0.03   0.00    -0.01  -0.02   0.00
    11   6    -0.16  -0.04  -0.08     0.05   0.00  -0.14     0.02  -0.04  -0.03
    12   8    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.22   0.12  -0.03    -0.12  -0.07   0.02    -0.07  -0.04   0.01
    15   1    -0.05   0.05   0.00     0.04  -0.04  -0.00     0.02  -0.03   0.00
    16   1     0.21  -0.09  -0.01    -0.12   0.05   0.01    -0.08   0.04   0.00
    17   1    -0.10   0.03   0.01    -0.02   0.01  -0.00    -0.04   0.03   0.00
    18   1     0.04   0.05   0.01    -0.06  -0.06   0.03    -0.05  -0.04   0.01
    19   1     0.02   0.06   0.01     0.07  -0.06   0.01     0.06  -0.04   0.02
    20   1     0.61   0.27   0.40    -0.18  -0.18   0.85    -0.27  -0.14  -0.39
    21   6     0.04   0.01   0.03    -0.04   0.06   0.04    -0.00  -0.02   0.04
    22   6     0.03   0.05   0.01    -0.01   0.00  -0.00     0.01   0.25   0.13
    23   1     0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1    -0.12   0.00   0.10     0.08  -0.13   0.10     0.04   0.11  -0.06
    27   1    -0.15  -0.06  -0.07     0.03   0.09  -0.17     0.00  -0.00  -0.15
    28   1     0.03  -0.01  -0.13    -0.02  -0.19   0.01    -0.01   0.03  -0.13
    29   8     0.02  -0.04   0.04     0.02  -0.02   0.02     0.01  -0.06   0.00
    30   8    -0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.03  -0.04  -0.07
    31   1     0.07  -0.32   0.06     0.01  -0.06   0.01     0.17  -0.73   0.11
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1389.2627              1403.3210              1412.6404
 Red. masses --      2.4601                 2.6046                 3.6615
 Frc consts  --      2.7975                 3.0221                 4.3050
 IR Inten    --     14.2226                13.1619                 1.4105
 RamAct Fr= 1--     99.2582                 2.0437               540.3771
  Dep-P Fr= 1--      0.1798                 0.2712                 0.2019
  Dep-U Fr= 1--      0.3048                 0.4266                 0.3359
 Alpha2 Fr= 1--      1.4214                 0.0228                 7.3019
 Beta2  Fr= 1--      5.0420                 0.1453                30.2558
 AlphaG Fr= 1--      0.2377                -0.0139                 2.0304
 Gamma2 Fr= 1--      2.9024                -1.2304                 8.3473
 Delta2 Fr= 1--      4.7467                -4.1628                -2.1229
 Raman1 Fr= 1--     397.033                  8.175               2161.509
 ROA1   Fr= 1--     430.529               -251.333                733.405
 CID1   Fr= 1--       1.084                -30.745                  0.339
 Raman2 Fr= 1--      60.505                  1.744                363.069
 ROA2   Fr= 1--      31.685                  3.772                217.318
 CID2   Fr= 1--       0.524                  2.163                  0.599
 Raman3 Fr= 1--     121.009                  3.488                726.139
 ROA3   Fr= 1--     430.529               -251.333                733.405
 CID3   Fr= 1--       3.558                -72.065                  1.010
 RC180  Fr= 1--      -0.390                 -0.147                 -0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.19  -0.01    -0.06   0.03   0.00    -0.01  -0.06   0.01
     2   6    -0.06  -0.03   0.01    -0.12  -0.06   0.02     0.06   0.06  -0.01
     3   6    -0.00  -0.10   0.01     0.16  -0.05  -0.01    -0.10  -0.01   0.01
     4   6     0.04  -0.06   0.00    -0.06  -0.02   0.01     0.09   0.25  -0.03
     5   6     0.05   0.12  -0.02    -0.06  -0.04   0.01    -0.07  -0.23   0.03
     6   6     0.13  -0.06  -0.01     0.11   0.06  -0.02    -0.03   0.04  -0.00
     7   6     0.09  -0.03  -0.01     0.09   0.07  -0.02     0.14  -0.08  -0.01
     8   6    -0.02   0.04  -0.00    -0.13  -0.08   0.02    -0.11  -0.05   0.01
     9   6    -0.01   0.07  -0.00    -0.07   0.03   0.00    -0.06   0.18  -0.01
    10   6    -0.06  -0.06   0.01     0.14  -0.05  -0.01     0.08  -0.06  -0.00
    11   6    -0.04  -0.03   0.03     0.04   0.01  -0.01    -0.03  -0.03   0.01
    12   8     0.02  -0.03   0.00    -0.00   0.02  -0.00     0.02  -0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    14   1    -0.26  -0.19   0.05     0.25   0.25  -0.05    -0.13  -0.09   0.02
    15   1     0.10  -0.16   0.01    -0.39   0.16   0.02    -0.19   0.02   0.02
    16   1    -0.21   0.07   0.01    -0.13   0.16  -0.00    -0.32   0.14   0.02
    17   1    -0.47   0.18   0.03     0.01   0.11  -0.01    -0.03  -0.01   0.00
    18   1    -0.32  -0.20   0.05     0.35   0.32  -0.07    -0.16  -0.09   0.03
    19   1    -0.07  -0.07   0.01    -0.40   0.15   0.03     0.22  -0.12  -0.01
    20   1     0.43   0.20  -0.12    -0.07  -0.04   0.04     0.48   0.21  -0.05
    21   6     0.02  -0.01  -0.02    -0.01   0.02  -0.01    -0.00  -0.04   0.04
    22   6     0.00  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.03  -0.02
    23   1     0.07  -0.09   0.00     0.07  -0.16   0.01    -0.02   0.03  -0.00
    24   1    -0.00  -0.02   0.04     0.10  -0.02  -0.00     0.01  -0.00  -0.00
    25   1    -0.01  -0.03  -0.03     0.10  -0.02  -0.01     0.01  -0.00  -0.00
    26   1    -0.05   0.01   0.01     0.02  -0.09   0.04     0.06   0.22  -0.14
    27   1    -0.05  -0.04   0.06    -0.02   0.00   0.08     0.08   0.01  -0.22
    28   1     0.02   0.01   0.01     0.01  -0.08   0.06    -0.04   0.15  -0.21
    29   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   8     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.01   0.01
    31   1    -0.01   0.05  -0.01    -0.00   0.01  -0.00    -0.01   0.05  -0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1418.6748              1456.8846              1479.8450
 Red. masses --      1.3078                 3.3322                 1.2094
 Frc consts  --      1.5508                 4.1671                 1.5604
 IR Inten    --      3.3840                 1.5734                 7.1192
 RamAct Fr= 1--     41.7526               160.0380                 5.4245
  Dep-P Fr= 1--      0.1985                 0.2607                 0.5577
  Dep-U Fr= 1--      0.3312                 0.4136                 0.7161
 Alpha2 Fr= 1--      0.5693                 1.8403                 0.0198
 Beta2  Fr= 1--      2.3046                11.0323                 0.6474
 AlphaG Fr= 1--      0.1869                 0.3262                 0.0048
 Gamma2 Fr= 1--     -0.0390                 0.2535                -0.6529
 Delta2 Fr= 1--     -0.2431                 0.5536                -0.0419
 Raman1 Fr= 1--     167.011                640.152                 21.698
 ROA1   Fr= 1--     -11.523                 42.055                -64.019
 CID1   Fr= 1--      -0.069                  0.066                 -2.950
 Raman2 Fr= 1--      27.656                132.387                  7.769
 ROA2   Fr= 1--       1.009                  1.655                -15.335
 CID2   Fr= 1--       0.036                  0.013                 -1.974
 Raman3 Fr= 1--      55.311                264.775                 15.537
 ROA3   Fr= 1--     -11.523                 42.055                -64.019
 CID3   Fr= 1--      -0.208                  0.159                 -4.120
 RC180  Fr= 1--      -0.338                 -0.173                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.04  -0.15   0.01    -0.01  -0.01   0.00
     2   6     0.03   0.02  -0.00    -0.12   0.04   0.01    -0.05  -0.03   0.01
     3   6    -0.03   0.00   0.00     0.13   0.03  -0.02    -0.01   0.01   0.00
     4   6     0.03   0.04  -0.01    -0.17   0.01   0.02    -0.01  -0.01   0.00
     5   6    -0.01  -0.04   0.00     0.15  -0.01  -0.01     0.02  -0.00  -0.00
     6   6    -0.02   0.00   0.00     0.11   0.00  -0.01     0.01   0.03  -0.00
     7   6     0.02  -0.01  -0.00    -0.12  -0.01   0.01     0.03  -0.01  -0.00
     8   6    -0.02  -0.00   0.00     0.13  -0.04  -0.01    -0.00   0.01  -0.00
     9   6    -0.01   0.02  -0.00    -0.02   0.17  -0.01    -0.03   0.01   0.00
    10   6     0.01   0.00  -0.00    -0.13  -0.03   0.02     0.01  -0.02   0.00
    11   6    -0.00  -0.01  -0.00    -0.03  -0.05   0.01     0.00  -0.00  -0.00
    12   8     0.01  -0.00  -0.00    -0.02   0.04  -0.00     0.03  -0.01  -0.00
    13   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.07  -0.07  -0.00
    14   1    -0.05  -0.04   0.01     0.04   0.19  -0.02     0.16   0.13  -0.03
    15   1     0.02  -0.02  -0.00    -0.31   0.23   0.01     0.04  -0.01  -0.00
    16   1    -0.04   0.01   0.00    -0.20   0.13   0.01     0.09   0.00  -0.01
    17   1     0.00  -0.00  -0.00     0.19  -0.14  -0.00    -0.08   0.04   0.00
    18   1    -0.03  -0.01   0.00    -0.07  -0.23   0.03    -0.06  -0.04   0.01
    19   1     0.10  -0.04  -0.01     0.42  -0.25  -0.02    -0.06   0.01   0.01
    20   1     0.02   0.00  -0.06     0.38   0.14  -0.06     0.03   0.01  -0.01
    21   6     0.03   0.07  -0.11     0.01   0.00  -0.02    -0.00   0.00  -0.00
    22   6     0.00   0.04   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.01   0.02  -0.00    -0.00  -0.04   0.00    -0.23   0.52  -0.03
    24   1    -0.01   0.00   0.00     0.07   0.02  -0.04    -0.44   0.27  -0.15
    25   1    -0.01   0.00   0.00     0.07   0.03   0.03    -0.41   0.30   0.18
    26   1    -0.23  -0.43   0.30    -0.07  -0.02   0.03     0.04  -0.02  -0.00
    27   1    -0.23  -0.08   0.51    -0.04  -0.02   0.03     0.01   0.00   0.03
    28   1     0.10  -0.26   0.47     0.02  -0.01   0.07    -0.00  -0.01  -0.03
    29   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.02  -0.08   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1494.9600              1495.6971              1502.6655
 Red. masses --      1.0488                 1.0467                 1.0524
 Frc consts  --      1.3810                 1.3796                 1.4001
 IR Inten    --      9.7971                 7.7628                12.0344
 RamAct Fr= 1--      4.9328                 9.7790                 5.5455
  Dep-P Fr= 1--      0.7423                 0.7477                 0.5539
  Dep-U Fr= 1--      0.8521                 0.8556                 0.7129
 Alpha2 Fr= 1--      0.0006                 0.0004                 0.0207
 Beta2  Fr= 1--      0.7005                 1.3946                 0.6589
 AlphaG Fr= 1--      0.0067                 0.0096                 0.1902
 Gamma2 Fr= 1--      0.5766                -0.4399                 2.8866
 Delta2 Fr= 1--     -0.7055                 0.1696                 1.5594
 Raman1 Fr= 1--      19.731                 39.116                 22.182
 ROA1   Fr= 1--      32.780                -36.806                327.017
 CID1   Fr= 1--       1.661                 -0.941                 14.743
 Raman2 Fr= 1--       8.406                 16.735                  7.906
 ROA2   Fr= 1--      19.483                -11.915                 56.804
 CID2   Fr= 1--       2.318                 -0.712                  7.184
 Raman3 Fr= 1--      16.813                 33.470                 15.813
 ROA3   Fr= 1--      32.780                -36.806                327.017
 CID3   Fr= 1--       1.950                 -1.100                 20.680
 RC180  Fr= 1--       0.704                  0.711                  0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    12   8    -0.01   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01   0.00  -0.00    -0.01  -0.01  -0.06    -0.00  -0.00   0.00
    14   1     0.01   0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    18   1    -0.03  -0.03   0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.02
    20   1     0.05   0.05  -0.05    -0.00  -0.00   0.00     0.02  -0.01   0.05
    21   6    -0.04   0.02   0.01     0.00  -0.00  -0.00    -0.03  -0.04  -0.02
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    23   1     0.02  -0.04   0.01     0.07   0.07   0.71     0.00  -0.01  -0.00
    24   1     0.03  -0.01   0.01    -0.47  -0.05   0.13     0.00   0.01  -0.01
    25   1     0.04  -0.01  -0.01     0.48   0.06   0.01     0.00   0.01   0.00
    26   1     0.60  -0.35  -0.06    -0.01   0.01   0.00    -0.15  -0.30   0.20
    27   1     0.13   0.06   0.46    -0.00  -0.00  -0.01     0.61   0.24   0.07
    28   1    -0.05  -0.12  -0.49     0.00   0.00   0.01    -0.06   0.62   0.13
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.9339              1524.3811              1547.5136
 Red. masses --      1.0601                 2.3928                 3.5057
 Frc consts  --      1.4184                 3.2760                 4.9464
 IR Inten    --     47.9664                21.1815                75.5772
 RamAct Fr= 1--     17.2513               123.6098                10.8643
  Dep-P Fr= 1--      0.4388                 0.2690                 0.2141
  Dep-U Fr= 1--      0.6100                 0.4239                 0.3526
 Alpha2 Fr= 1--      0.1106                 1.3883                 0.1421
 Beta2  Fr= 1--      1.7538                 8.7337                 0.6385
 AlphaG Fr= 1--      0.0117                 0.3352                 0.0396
 Gamma2 Fr= 1--      0.5532                -3.1811                 0.4365
 Delta2 Fr= 1--     -0.0151                -0.5966                -0.0227
 Raman1 Fr= 1--      69.005                494.439                 43.457
 ROA1   Fr= 1--      52.620               -324.477                 41.182
 CID1   Fr= 1--       0.763                 -0.656                  0.948
 Raman2 Fr= 1--      21.045                104.805                  7.662
 ROA2   Fr= 1--      13.397                -71.574                 10.659
 CID2   Fr= 1--       0.637                 -0.683                  1.391
 Raman3 Fr= 1--      42.090                209.610                 15.324
 ROA3   Fr= 1--      52.620               -324.477                 41.182
 CID3   Fr= 1--       1.250                 -1.548                  2.687
 RC180  Fr= 1--       0.220                 -0.152                 -0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.00     0.14  -0.02  -0.01     0.08   0.17  -0.03
     2   6     0.00  -0.00   0.00    -0.05  -0.06   0.01    -0.06  -0.16   0.02
     3   6    -0.01   0.00   0.00    -0.03   0.05  -0.00    -0.10  -0.03   0.01
     4   6    -0.00   0.00  -0.00    -0.13   0.04   0.01     0.12  -0.06  -0.01
     5   6     0.00  -0.00  -0.00     0.08  -0.02  -0.01     0.14  -0.06  -0.01
     6   6    -0.01   0.00   0.00    -0.08   0.05   0.00    -0.14   0.12   0.00
     7   6     0.01  -0.01  -0.00     0.11  -0.09  -0.00    -0.09   0.10  -0.00
     8   6     0.00   0.01  -0.00     0.06   0.10  -0.02    -0.05  -0.13   0.02
     9   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.01   0.18  -0.02
    10   6     0.00  -0.00  -0.00     0.07  -0.04  -0.00    -0.05  -0.06   0.01
    11   6     0.00   0.00  -0.00     0.03   0.00  -0.00    -0.01  -0.03   0.00
    12   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.00
    13   6    -0.03  -0.04   0.01    -0.02   0.03  -0.00    -0.01   0.02  -0.00
    14   1    -0.00  -0.01   0.00     0.30   0.21  -0.05     0.39   0.18  -0.06
    15   1     0.04  -0.02  -0.00     0.15  -0.01  -0.01     0.24  -0.17  -0.01
    16   1     0.02  -0.01  -0.00     0.28  -0.08  -0.02     0.45  -0.10  -0.04
    17   1    -0.04   0.01   0.00    -0.41   0.10   0.03     0.31  -0.05  -0.03
    18   1    -0.03  -0.02   0.01    -0.38  -0.25   0.06     0.25   0.10  -0.04
    19   1    -0.02   0.01   0.00    -0.26   0.08   0.02     0.14  -0.14  -0.00
    20   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.18   0.06  -0.02
    21   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
    23   1     0.14  -0.36   0.03     0.05  -0.13   0.01     0.06  -0.12   0.00
    24   1     0.17   0.44  -0.44     0.13  -0.18   0.13     0.07  -0.06   0.04
    25   1     0.25   0.52   0.30     0.10  -0.20  -0.12     0.06  -0.07  -0.05
    26   1    -0.01   0.01  -0.00    -0.08   0.04   0.01    -0.00  -0.00  -0.00
    27   1    -0.01  -0.01  -0.01    -0.04  -0.01  -0.05     0.01   0.00  -0.00
    28   1     0.00  -0.01   0.01     0.01  -0.01   0.08    -0.00   0.01   0.00
    29   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.1984              1652.2589              1676.2956
 Red. masses --      6.8291                 5.6802                 6.3361
 Frc consts  --     10.4192                 9.1364                10.4900
 IR Inten    --      5.9389                99.5114                67.2266
 RamAct Fr= 1--     86.2670                 5.6308               294.0160
  Dep-P Fr= 1--      0.6093                 0.7061                 0.3795
  Dep-U Fr= 1--      0.7572                 0.8278                 0.5502
 Alpha2 Fr= 1--      0.2234                 0.0043                 2.3395
 Beta2  Fr= 1--     10.8875                 0.7768                26.9625
 AlphaG Fr= 1--      0.1833                -0.0342                 2.0703
 Gamma2 Fr= 1--      6.5605                -0.6487                14.6034
 Delta2 Fr= 1--     -3.8652                 0.3762                -2.1810
 Raman1 Fr= 1--     345.068                 22.523               1176.064
 ROA1   Fr= 1--     506.127                -50.242               1332.139
 CID1   Fr= 1--       1.467                 -2.231                  1.133
 Raman2 Fr= 1--     130.651                  9.322                323.550
 ROA2   Fr= 1--     188.374                -18.580                367.930
 CID2   Fr= 1--       1.442                 -1.993                  1.137
 Raman3 Fr= 1--     261.301                 18.644                647.100
 ROA3   Fr= 1--     506.127                -50.242               1332.139
 CID3   Fr= 1--       1.937                 -2.695                  2.059
 RC180  Fr= 1--       0.514                  0.656                  0.100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.24   0.02    -0.20   0.13   0.01    -0.15   0.11   0.00
     2   6     0.20   0.17  -0.04     0.20   0.03  -0.02     0.17   0.01  -0.02
     3   6    -0.06   0.16  -0.01     0.20  -0.13  -0.01     0.23  -0.11  -0.01
     4   6    -0.08  -0.27   0.04    -0.01   0.00   0.00    -0.25   0.07   0.02
     5   6     0.07   0.27  -0.03    -0.03  -0.02   0.01     0.25  -0.09  -0.02
     6   6    -0.15  -0.09   0.02    -0.20   0.02   0.02    -0.24   0.06   0.02
     7   6     0.14   0.09  -0.02    -0.23   0.01   0.02     0.22  -0.05  -0.02
     8   6    -0.17  -0.15   0.03     0.24   0.06  -0.03    -0.16  -0.03   0.02
     9   6    -0.05   0.24  -0.02    -0.20   0.11   0.01     0.13  -0.08  -0.00
    10   6     0.10  -0.17   0.01     0.21  -0.12  -0.01    -0.21   0.10   0.01
    11   6     0.00  -0.02   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    12   8     0.00   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    13   6    -0.01  -0.01   0.00     0.02  -0.00  -0.00     0.02  -0.01  -0.00
    14   1    -0.25  -0.19   0.04    -0.16  -0.27   0.04    -0.08  -0.19   0.03
    15   1     0.23   0.05  -0.03    -0.29   0.05   0.02    -0.31   0.10   0.02
    16   1     0.11  -0.20   0.01     0.17  -0.13  -0.00     0.29  -0.15  -0.02
    17   1    -0.13   0.20  -0.01     0.18  -0.17  -0.00    -0.25   0.14   0.01
    18   1     0.18   0.15  -0.03    -0.19  -0.31   0.05     0.09   0.18  -0.03
    19   1    -0.33  -0.02   0.04    -0.33   0.07   0.03     0.33  -0.10  -0.03
    20   1     0.19   0.06  -0.01     0.12   0.03  -0.01    -0.08  -0.02   0.01
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.01  -0.01   0.01
    23   1    -0.03   0.03   0.00     0.01   0.03  -0.00     0.01   0.02  -0.00
    24   1     0.01   0.01  -0.02    -0.06   0.05  -0.04    -0.05   0.04  -0.03
    25   1     0.01   0.01   0.01    -0.05   0.06   0.04    -0.04   0.05   0.03
    26   1    -0.02   0.01  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    27   1     0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.01  -0.00   0.01
    28   1    -0.00   0.02   0.02     0.01  -0.00   0.03    -0.00  -0.01  -0.02
    29   8     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    30   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1808.2370              3008.3383              3045.5832
 Red. masses --      9.5572                 1.0348                 1.0364
 Frc consts  --     18.4116                 5.5175                 5.6638
 IR Inten    --    361.2354                68.5769                29.1135
 RamAct Fr= 1--     30.5780               235.8420               262.3086
  Dep-P Fr= 1--      0.1996                 0.0389                 0.0846
  Dep-U Fr= 1--      0.3328                 0.0748                 0.1560
 Alpha2 Fr= 1--      0.4157                 4.7834                 4.7681
 Beta2  Fr= 1--      1.6959                 2.9411                 6.8208
 AlphaG Fr= 1--      0.1654                 0.4572                -1.4369
 Gamma2 Fr= 1--      3.8084                 0.5453                -1.0244
 Delta2 Fr= 1--     -4.6687                -0.8758                 0.4506
 Raman1 Fr= 1--     122.312                943.368               1049.234
 ROA1   Fr= 1--     216.206                 24.327                -83.927
 CID1   Fr= 1--       1.768                  0.026                 -0.080
 Raman2 Fr= 1--      20.351                 35.293                 81.850
 ROA2   Fr= 1--     128.751                 20.094                -28.191
 CID2   Fr= 1--       6.326                  0.569                 -0.344
 Raman3 Fr= 1--      40.703                 70.585                163.700
 ROA3   Fr= 1--     216.206                 24.327                -83.927
 CID3   Fr= 1--       5.312                  0.345                 -0.513
 RC180  Fr= 1--      -0.334                 -0.850                 -0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.03   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.02  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03   0.01  -0.07    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.04   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    20   1     0.13   0.03   0.22     0.00  -0.00  -0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.04
    22   6     0.33  -0.31   0.54     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.26   0.13  -0.04    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.12  -0.42  -0.51     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.32   0.60     0.00   0.00  -0.00
    26   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00    -0.21  -0.27  -0.46
    27   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.17   0.39   0.03
    28   1     0.00  -0.01   0.03     0.00   0.00  -0.00     0.69   0.05  -0.05
    29   8    -0.20   0.22  -0.33    -0.00   0.00  -0.00     0.00   0.00   0.00
    30   8    -0.03   0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1     0.11  -0.46   0.08    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.1576              3083.8909              3106.9101
 Red. masses --      1.1058                 1.0851                 1.1020
 Frc consts  --      6.1174                 6.0800                 6.2673
 IR Inten    --     36.5745                 4.6656                28.2040
 RamAct Fr= 1--     73.3456                67.4262               119.3274
  Dep-P Fr= 1--      0.7500                 0.2075                 0.6922
  Dep-U Fr= 1--      0.8571                 0.3437                 0.8181
 Alpha2 Fr= 1--      0.0000                 0.8975                 0.1207
 Beta2  Fr= 1--     10.4779                 3.8626                16.2708
 AlphaG Fr= 1--     -0.0139                 0.3184                 0.3169
 Gamma2 Fr= 1--      2.4897                -3.2666                -4.5916
 Delta2 Fr= 1--      1.6738                -0.6362                 1.3436
 Raman1 Fr= 1--     293.383                269.705                477.310
 ROA1   Fr= 1--     292.575               -333.957               -397.796
 CID1   Fr= 1--       0.997                 -1.238                 -0.833
 Raman2 Fr= 1--     125.734                 46.351                195.250
 ROA2   Fr= 1--      46.362                -73.310               -120.946
 CID2   Fr= 1--       0.369                 -1.582                 -0.619
 Raman3 Fr= 1--     251.469                 92.702                390.499
 ROA3   Fr= 1--     292.575               -333.957               -397.796
 CID3   Fr= 1--       1.163                 -3.602                 -1.019
 RC180  Fr= 1--       0.714                 -0.313                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.00   0.00  -0.00
    12   8     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.01  -0.01  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.02  -0.02  -0.00    -0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.40   0.88   0.07     0.03  -0.06  -0.00
    21   6     0.00   0.00  -0.00    -0.01   0.02   0.00    -0.08  -0.02  -0.04
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.14   0.46   0.52    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1    -0.03  -0.34   0.61     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.01  -0.01  -0.02     0.24   0.33   0.57
    27   1     0.00  -0.00  -0.00     0.08  -0.19  -0.01     0.05  -0.16  -0.02
    28   1    -0.00  -0.00   0.00     0.07   0.01  -0.00     0.68   0.05  -0.06
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3131.1859              3134.4976              3165.8144
 Red. masses --      1.1003                 1.0988                 1.0863
 Frc consts  --      6.3562                 6.3604                 6.4146
 IR Inten    --     15.2651                25.1774                 3.9294
 RamAct Fr= 1--     25.3568               181.2734                61.9407
  Dep-P Fr= 1--      0.5417                 0.4266                 0.7300
  Dep-U Fr= 1--      0.7027                 0.5981                 0.8439
 Alpha2 Fr= 1--      0.1015                 1.2176                 0.0212
 Beta2  Fr= 1--      2.9698                18.0686                 8.7122
 AlphaG Fr= 1--     -0.1935                -0.1608                -0.0486
 Gamma2 Fr= 1--     -0.7341                -0.6056                -3.1018
 Delta2 Fr= 1--     -0.8591                -0.7590                 1.7602
 Raman1 Fr= 1--     101.427                725.094                247.763
 ROA1   Fr= 1--     -97.964                -82.427               -241.442
 CID1   Fr= 1--      -0.966                 -0.114                 -0.974
 Raman2 Fr= 1--      35.638                216.823                104.546
 ROA2   Fr= 1--     -10.745                 -8.463                -88.524
 CID2   Fr= 1--      -0.302                 -0.039                 -0.847
 Raman3 Fr= 1--      71.276                433.645                209.092
 ROA3   Fr= 1--     -97.964                -82.427               -241.442
 CID3   Fr= 1--      -1.374                 -0.190                 -1.155
 RC180  Fr= 1--       0.405                  0.196                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.06   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.07  -0.05   0.01    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.05   0.01
    16   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.24   0.65  -0.09
    18   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.45  -0.54   0.02
    19   1    -0.02  -0.06   0.01     0.00  -0.00   0.00     0.01   0.02  -0.00
    20   1    -0.08   0.19   0.01    -0.00   0.00   0.00     0.01  -0.03  -0.00
    21   6     0.03  -0.08  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   1    -0.01  -0.00   0.00     0.86   0.41  -0.13     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.03   0.11   0.15     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.01   0.08  -0.17    -0.00   0.00  -0.00
    26   1     0.15   0.18   0.33     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.34   0.79   0.03    -0.00   0.01   0.00     0.00  -0.01  -0.00
    28   1    -0.19  -0.03   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3170.2965              3179.4823              3182.8696
 Red. masses --      1.0890                 1.0894                 1.0944
 Frc consts  --      6.4490                 6.4887                 6.5322
 IR Inten    --      5.3200                11.0683                11.4679
 RamAct Fr= 1--     42.8781                40.9963               120.0920
  Dep-P Fr= 1--      0.4590                 0.5094                 0.2124
  Dep-U Fr= 1--      0.6292                 0.6749                 0.3504
 Alpha2 Fr= 1--      0.2534                 0.1937                 1.5777
 Beta2  Fr= 1--      4.4965                 4.6117                 7.0134
 AlphaG Fr= 1--      0.0751                 0.0476                -0.4803
 Gamma2 Fr= 1--     -0.4743                 4.8328                -3.8214
 Delta2 Fr= 1--     -1.6858                 7.1204                -2.1295
 Raman1 Fr= 1--     171.513                163.985                480.368
 ROA1   Fr= 1--     -99.483                691.802               -434.998
 CID1   Fr= 1--      -0.580                  4.219                 -0.906
 Raman2 Fr= 1--      53.957                 55.340                 84.161
 ROA2   Fr= 1--       2.102                 59.025                -74.677
 CID2   Fr= 1--       0.039                  1.067                 -0.887
 Raman3 Fr= 1--     107.915                110.680                168.322
 ROA3   Fr= 1--     -99.483                691.802               -434.998
 CID3   Fr= 1--      -0.922                  6.250                 -2.584
 RC180  Fr= 1--       0.258                  0.350                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.03  -0.08   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     8   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.01   0.01  -0.00    -0.03  -0.08   0.01     0.00   0.02  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.11  -0.15   0.00     0.03  -0.03   0.00    -0.00   0.01  -0.00
    15   1     0.02   0.05  -0.01     0.00   0.01  -0.00    -0.11  -0.29   0.04
    16   1     0.33   0.89  -0.12     0.06   0.17  -0.02    -0.00  -0.01   0.00
    17   1    -0.00  -0.00   0.00     0.04   0.11  -0.02     0.23   0.60  -0.09
    18   1     0.01  -0.01   0.00    -0.10   0.12  -0.00    -0.42   0.51  -0.01
    19   1    -0.06  -0.17   0.02     0.33   0.89  -0.11    -0.06  -0.17   0.02
    20   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3186.9783              3214.7815              3728.7439
 Red. masses --      1.0905                 1.0911                 1.0641
 Frc consts  --      6.5260                 6.6438                 8.7165
 IR Inten    --      7.7096                 7.8298                69.0306
 RamAct Fr= 1--    184.1839               129.5181               129.5043
  Dep-P Fr= 1--      0.2187                 0.2383                 0.2532
  Dep-U Fr= 1--      0.3589                 0.3849                 0.4041
 Alpha2 Fr= 1--      2.3794                 1.5858                 1.5212
 Beta2  Fr= 1--     11.0158                 8.3083                 8.7218
 AlphaG Fr= 1--     -0.4471                 0.2184                 1.0851
 Gamma2 Fr= 1--     -1.4194                 1.4836                13.7491
 Delta2 Fr= 1--     -0.9385                 0.4080                -3.0304
 Raman1 Fr= 1--     736.735                518.073                518.017
 ROA1   Fr= 1--    -166.297                155.487               1222.936
 CID1   Fr= 1--      -0.226                  0.300                  2.361
 Raman2 Fr= 1--     132.189                 99.699                104.661
 ROA2   Fr= 1--     -26.559                 32.343                354.220
 CID2   Fr= 1--      -0.201                  0.324                  3.384
 Raman3 Fr= 1--     264.379                199.398                209.323
 ROA3   Fr= 1--    -166.297                155.487               1222.936
 CID3   Fr= 1--      -0.629                  0.780                  5.842
 RC180  Fr= 1--      -0.282                 -0.230                 -0.192
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.05  -0.07   0.00     0.00   0.00  -0.00
     3   6    -0.03  -0.08   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00    -0.61   0.76  -0.01     0.00  -0.00   0.00
    15   1     0.34   0.87  -0.12     0.00   0.01  -0.00     0.00   0.00  -0.00
    16   1    -0.02  -0.05   0.01     0.07   0.17  -0.02    -0.00  -0.00   0.00
    17   1     0.08   0.23  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.11   0.14  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.02  -0.05   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.05
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.36   0.31   0.88

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  8 and mass  15.99491
 Atom    30 has atomic number  8 and mass  15.99491
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1413.160478595.740719106.36968
           X            0.99993  -0.00576  -0.01068
           Y            0.00565   0.99993  -0.00995
           Z            0.01074   0.00989   0.99989
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06129     0.01008     0.00951
 Rotational constants (GHZ):           1.27710     0.20996     0.19818
 Zero-point vibrational energy     658224.9 (Joules/Mol)
                                  157.31952 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     19.83    56.16    70.94   107.33   166.62
          (Kelvin)            200.39   262.35   281.43   332.49   334.59
                              357.15   390.95   438.01   504.56   566.93
                              600.01   608.45   673.54   695.19   769.98
                              801.93   831.46   858.12   888.37   915.95
                              985.55   995.54  1090.27  1120.35  1150.92
                             1172.59  1176.94  1211.72  1225.38  1289.66
                             1319.38  1348.13  1366.16  1384.07  1410.83
                             1457.92  1531.50  1541.18  1591.44  1668.92
                             1687.19  1688.63  1708.79  1711.21  1725.14
                             1736.28  1814.10  1865.99  1877.33  1904.90
                             1938.16  1941.21  1998.84  2019.07  2032.47
                             2041.16  2096.13  2129.17  2150.91  2151.97
                             2162.00  2168.14  2193.24  2226.53  2315.28
                             2377.23  2411.82  2601.65  4328.33  4381.91
                             4408.64  4437.03  4470.15  4505.08  4509.84
                             4554.90  4561.35  4574.57  4579.44  4585.35
                             4625.35  5364.83
 
 Zero-point correction=                           0.250705 (Hartree/Particle)
 Thermal correction to Energy=                    0.266022
 Thermal correction to Enthalpy=                  0.266966
 Thermal correction to Gibbs Free Energy=         0.206297
 Sum of electronic and zero-point Energies=           -767.722578
 Sum of electronic and thermal Energies=              -767.707261
 Sum of electronic and thermal Enthalpies=            -767.706317
 Sum of electronic and thermal Free Energies=         -767.766985
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.931             58.703            127.688
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.070
 Vibrational            165.154             52.741             52.416
 Vibration     1          0.593              1.986              7.374
 Vibration     2          0.594              1.981              5.308
 Vibration     3          0.595              1.978              4.845
 Vibration     4          0.599              1.966              4.028
 Vibration     5          0.608              1.936              3.169
 Vibration     6          0.615              1.914              2.814
 Vibration     7          0.630              1.864              2.304
 Vibration     8          0.636              1.846              2.174
 Vibration     9          0.653              1.793              1.870
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.662              1.766              1.743
 Vibration    12          0.675              1.725              1.585
 Vibration    13          0.695              1.665              1.392
 Vibration    14          0.728              1.574              1.163
 Vibration    15          0.761              1.483              0.985
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.825              1.321              0.743
 Vibration    19          0.839              1.287              0.702
 Vibration    20          0.890              1.172              0.576
 Vibration    21          0.913              1.124              0.529
 Vibration    22          0.934              1.079              0.489
 Vibration    23          0.954              1.039              0.456
 Vibration    24          0.977              0.995              0.421
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.128798D-94        -94.890089       -218.492505
 Total V=0       0.266640D+21         20.425925         47.032431
 Vib (Bot)       0.249369-109       -109.603158       -252.370597
 Vib (Bot)    1  0.150337D+02          1.177067          2.710297
 Vib (Bot)    2  0.530147D+01          0.724397          1.667985
 Vib (Bot)    3  0.419277D+01          0.622501          1.433362
 Vib (Bot)    4  0.276301D+01          0.441382          1.016320
 Vib (Bot)    5  0.176635D+01          0.247078          0.568917
 Vib (Bot)    6  0.146018D+01          0.164406          0.378558
 Vib (Bot)    7  0.110062D+01          0.041636          0.095870
 Vib (Bot)    8  0.102106D+01          0.009052          0.020843
 Vib (Bot)    9  0.851884D+00         -0.069620         -0.160305
 Vib (Bot)   10  0.845994D+00         -0.072633         -0.167243
 Vib (Bot)   11  0.786894D+00         -0.104084         -0.239662
 Vib (Bot)   12  0.710607D+00         -0.148371         -0.341636
 Vib (Bot)   13  0.623134D+00         -0.205419         -0.472994
 Vib (Bot)   14  0.525876D+00         -0.279117         -0.642690
 Vib (Bot)   15  0.454303D+00         -0.342654         -0.788990
 Vib (Bot)   16  0.422007D+00         -0.374680         -0.862733
 Vib (Bot)   17  0.414287D+00         -0.382699         -0.881196
 Vib (Bot)   18  0.360874D+00         -0.442644         -1.019226
 Vib (Bot)   19  0.345193D+00         -0.461939         -1.063653
 Vib (Bot)   20  0.297404D+00         -0.526653         -1.212664
 Vib (Bot)   21  0.279563D+00         -0.553520         -1.274527
 Vib (Bot)   22  0.264239D+00         -0.578003         -1.330900
 Vib (Bot)   23  0.251279D+00         -0.599845         -1.381193
 Vib (Bot)   24  0.237484D+00         -0.624365         -1.437653
 Vib (V=0)       0.516246D+06          5.712857         13.154339
 Vib (V=0)    1  0.155421D+02          1.191508          2.743549
 Vib (V=0)    2  0.582500D+01          0.765296          1.762159
 Vib (V=0)    3  0.472248D+01          0.674170          1.552334
 Vib (V=0)    4  0.330788D+01          0.519550          1.196308
 Vib (V=0)    5  0.233576D+01          0.368428          0.848336
 Vib (V=0)    6  0.204341D+01          0.310356          0.714621
 Vib (V=0)    7  0.170887D+01          0.232708          0.535830
 Vib (V=0)    8  0.163691D+01          0.214025          0.492811
 Vib (V=0)    9  0.148778D+01          0.172538          0.397284
 Vib (V=0)   10  0.148270D+01          0.171054          0.393867
 Vib (V=0)   11  0.143231D+01          0.156037          0.359289
 Vib (V=0)   12  0.136889D+01          0.136367          0.313997
 Vib (V=0)   13  0.129893D+01          0.113587          0.261544
 Vib (V=0)   14  0.122563D+01          0.088361          0.203459
 Vib (V=0)   15  0.117557D+01          0.070248          0.161751
 Vib (V=0)   16  0.115429D+01          0.062313          0.143482
 Vib (V=0)   17  0.114933D+01          0.060446          0.139182
 Vib (V=0)   18  0.111663D+01          0.047909          0.110313
 Vib (V=0)   19  0.110758D+01          0.044377          0.102181
 Vib (V=0)   20  0.108176D+01          0.034132          0.078593
 Vib (V=0)   21  0.107285D+01          0.030538          0.070317
 Vib (V=0)   22  0.106553D+01          0.027565          0.063471
 Vib (V=0)   23  0.105959D+01          0.025138          0.057882
 Vib (V=0)   24  0.105353D+01          0.022648          0.052149
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.376492D+07          6.575756         15.141237
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655554444444333332221111111000999998888887766665555444433322221111    
     2            1887763308640                             0750420099851108442096098877607618653195411075983197538621950743398317431
     9            5739064174468                             8629847365079339974571799843061431207762285098257768753837414283162965994
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                    X XXX                             XXX X X         X  X X XXXX X XXX     X           XX                     
     X                        X                             XXX X X            X X XXXX   XX                  X                      
     X                        X                             XXX X              X X XX                                                
                                                            X X                X                                                     
                                                            X X                X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000389    0.000001424   -0.000000038
      2        6           0.000000144   -0.000000742   -0.000000096
      3        6          -0.000001098   -0.000000526    0.000000059
      4        6           0.000000500    0.000000285    0.000000187
      5        6           0.000000395    0.000000199   -0.000000347
      6        6          -0.000000318   -0.000000418    0.000000172
      7        6          -0.000001379   -0.000001039    0.000000095
      8        6           0.000000228    0.000000638    0.000000125
      9        6          -0.000000186    0.000000675   -0.000000349
     10        6          -0.000000081   -0.000000802    0.000000272
     11        6           0.000000188   -0.000000131    0.000000473
     12        8          -0.000000119    0.000000109   -0.000000101
     13        6           0.000000311   -0.000000081    0.000000818
     14        1          -0.000000048    0.000000444   -0.000000092
     15        1          -0.000000006    0.000000374   -0.000000092
     16        1           0.000000269    0.000000444   -0.000000095
     17        1           0.000000103    0.000000767   -0.000000068
     18        1           0.000000203   -0.000000709    0.000000054
     19        1           0.000000188    0.000000207   -0.000000058
     20        1           0.000000102   -0.000000320   -0.000000003
     21        6          -0.000000637   -0.000000792    0.000000022
     22        6          -0.000000766   -0.000000261   -0.000000945
     23        1           0.000000155    0.000000503   -0.000000250
     24        1           0.000000003    0.000000232   -0.000000364
     25        1           0.000000003    0.000000660   -0.000000620
     26        1           0.000000069   -0.000000092    0.000000166
     27        1          -0.000000030    0.000000060    0.000000020
     28        1           0.000000719   -0.000000290    0.000000072
     29        8           0.000000389   -0.000000517    0.000000674
     30        8           0.000000514   -0.000000005    0.000000823
     31        1          -0.000000202   -0.000000296   -0.000000514
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001424 RMS     0.000000462
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.295214D+03 -0.197878D+02 -0.803231D+01
      2  -0.197878D+02  0.183114D+03 -0.502830D+01
      3  -0.803231D+01 -0.502830D+01  0.123310D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116673D+02  0.207322D+02  0.278523D+01
      2  -0.806928D+02 -0.200742D+01 -0.239107D+02
      3   0.105119D+03 -0.445595D+02 -0.520809D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.432973D+03 -0.112606D+03 -0.901563D+02
      2  -0.186918D+03  0.942616D+02  0.794107D+01
      3  -0.246055D+03  0.183444D+02  0.822153D+02
      4  -0.622329D+02  0.912946D+02 -0.495887D+01
      5  -0.869836D+01  0.109706D+01 -0.816812D+02
      6  -0.391338D+01  0.211119D+02 -0.209336D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.384861D+02 -0.768204D+01 -0.123601D+01 -0.378658D+01  0.220545D+01
      2  -0.768204D+01  0.100892D+02 -0.848186D-01  0.220545D+01 -0.142777D+02
      3  -0.123601D+01 -0.848186D-01  0.399611D+01  0.615308D+00  0.154541D+01
                 6             7             8             9            10 
      1   0.615308D+00 -0.186025D+01  0.110355D+01  0.724132D+01  0.537354D+01
      2   0.154541D+01  0.110355D+01  0.176743D+00 -0.146382D+01  0.183720D+01
      3  -0.134108D+00  0.724132D+01 -0.146382D+01 -0.135281D+01 -0.201773D+00
                11            12            13            14            15 
      1   0.183720D+01 -0.201773D+00 -0.146037D+02  0.418128D+01  0.104073D+01
      2   0.106827D+02 -0.155345D+01  0.418128D+01  0.411918D+01 -0.148036D+01
      3  -0.155345D+01  0.273532D+01  0.104073D+01 -0.148036D+01 -0.166854D+01
                16            17            18            19            20 
      1   0.161627D+01 -0.499947D+00  0.401863D+01 -0.366737D+02  0.122380D+02
      2  -0.499947D+00 -0.208470D+01 -0.275434D+01  0.122380D+02 -0.920657D+01
      3   0.401863D+01 -0.275434D+01 -0.281001D+00  0.142329D+01  0.630662D+00
                21            22            23            24            25 
      1   0.142329D+01  0.196659D+02 -0.541319D+01 -0.732071D+00  0.175831D+01
      2   0.630662D+00 -0.541319D+01  0.786176D+01  0.326875D+00 -0.142184D+00
      3  -0.431326D+00 -0.732071D+00  0.326875D+00  0.251507D+01  0.435397D+00
                26            27            28            29            30 
      1  -0.142184D+00  0.435397D+00  0.368525D+02 -0.110278D+02 -0.122861D+01
      2   0.111988D+01  0.464229D+01 -0.110278D+02  0.320130D+01  0.392319D+00
      3   0.464229D+01 -0.126836D+01 -0.122861D+01  0.392319D+00 -0.158272D-01
                31            32            33            34            35 
      1   0.446487D+02 -0.887974D+01 -0.305682D+01 -0.805997D+01  0.221195D+01
      2  -0.887974D+01  0.835311D+01  0.323009D+00  0.221195D+01 -0.969073D+00
      3  -0.305682D+01  0.323009D+00 -0.160926D+00  0.129190D+01  0.925664D+00
                36            37            38            39            40 
      1   0.129190D+01 -0.399486D+02  0.115135D+02  0.132045D+01 -0.415516D+02
      2   0.925664D+00  0.115135D+02 -0.757476D+01 -0.549081D+00  0.775781D+01
      3  -0.261409D+00  0.132045D+01 -0.549081D+00  0.148522D+00  0.276081D+01
                41            42            43            44            45 
      1   0.775781D+01  0.276081D+01  0.818870D+01 -0.200770D+01 -0.143191D+01
      2  -0.600448D+01 -0.186202D+00 -0.200770D+01  0.121301D+01 -0.831791D+00
      3  -0.186202D+00 -0.786943D-02 -0.143191D+01 -0.831791D+00  0.353339D+00
                46            47            48            49            50 
      1  -0.617868D+01 -0.288422D+01  0.958328D+00 -0.140579D+01  0.388279D+01
      2  -0.288422D+01 -0.567620D+01  0.334846D+00  0.388279D+01 -0.320351D+01
      3   0.958328D+00  0.334846D+00 -0.247139D+01 -0.784046D+00 -0.691528D+00
                51            52            53            54            55 
      1  -0.784046D+00  0.780366D+00 -0.563000D+00 -0.662680D+00  0.106403D+02
      2  -0.691528D+00 -0.563000D+00 -0.278853D-01 -0.426660D+01  0.151257D+01
      3  -0.140088D+01 -0.662680D+00 -0.426660D+01  0.148976D+01 -0.169466D+01
                56            57            58            59            60 
      1   0.151257D+01 -0.169466D+01 -0.653417D-01 -0.318795D+01  0.793978D+00
      2   0.104326D+02  0.619918D-01 -0.318795D+01  0.824333D+00  0.780641D+00
      3   0.619918D-01  0.208906D+01  0.793978D+00  0.780641D+00  0.154530D+01
                61            62            63            64            65 
      1  -0.824976D+00  0.790960D+00  0.122673D+01 -0.533344D+01 -0.217116D+01
      2   0.790960D+00  0.482470D-02  0.466690D+01 -0.217116D+01 -0.147209D+02
      3   0.122673D+01  0.466690D+01 -0.149454D+01  0.415589D+00  0.127202D+01
                66            67            68            69            70 
      1   0.415589D+00  0.110899D+02 -0.173458D+01 -0.562573D+00 -0.342100D+01
      2   0.127202D+01 -0.173458D+01 -0.756338D+01  0.132579D+01  0.135856D+00
      3  -0.281869D+01 -0.562573D+00  0.132579D+01  0.131404D+01 -0.559159D+01
                71            72            73            74            75 
      1   0.135856D+00 -0.559159D+01 -0.480033D+02  0.575794D+01  0.182336D+01
      2   0.303888D+01  0.263278D+01  0.575794D+01 -0.497337D+01  0.222197D+00
      3   0.263278D+01  0.807452D+00  0.182336D+01  0.222197D+00 -0.151530D+01
                76            77            78            79            80 
      1   0.821463D+01 -0.251012D+01 -0.112119D+01  0.982252D+00 -0.105553D+01
      2  -0.251012D+01  0.177631D+02 -0.140668D+01 -0.105553D+01 -0.888625D+00
      3  -0.112119D+01 -0.140668D+01 -0.436245D+00 -0.614367D+01  0.832735D+00
                81            82            83            84            85 
      1  -0.614367D+01  0.418239D+02 -0.121259D+02 -0.180650D+01 -0.217988D+02
      2   0.832735D+00 -0.121259D+02  0.113881D+02 -0.635414D+00  0.294072D+01
      3   0.111851D+01 -0.180650D+01 -0.635414D+00  0.842613D-01  0.596740D+00
                86            87            88            89            90 
      1   0.294072D+01  0.596740D+00 -0.395005D+01  0.440709D-01 -0.458948D+00
      2  -0.757148D+01  0.170082D+00  0.440709D-01 -0.104066D+01 -0.346128D+01
      3   0.170082D+00 -0.176257D+01 -0.458948D+00 -0.346128D+01  0.120639D+01
                91            92            93            94            95 
      1   0.773731D+01 -0.161130D+01 -0.104026D+01  0.510022D+01  0.226901D+01
      2  -0.161130D+01  0.197471D+01  0.531909D-01  0.226901D+01 -0.279869D+01
      3  -0.104026D+01  0.531909D-01  0.212201D+01 -0.641308D+00 -0.450618D+00
                96            97            98            99           100 
      1  -0.641308D+00  0.476968D+01  0.423521D+00  0.692798D+01 -0.106296D+02
      2  -0.450618D+00  0.423521D+00  0.312112D-01  0.252293D+01  0.480868D+01
      3   0.348068D+01  0.692798D+01  0.252293D+01 -0.602766D+00  0.210720D+00
               101           102           103           104           105 
      1   0.480868D+01  0.210720D+00 -0.480103D+00  0.295847D+01 -0.393162D+00
      2  -0.453129D+01 -0.265987D-01  0.295847D+01  0.111245D+01 -0.433170D+00
      3  -0.265987D-01 -0.343697D+00 -0.393162D+00 -0.433170D+00 -0.105590D+01
               106           107           108           109           110 
      1   0.103455D+01 -0.699643D+00 -0.654144D-01 -0.270889D+00 -0.473937D+01
      2  -0.699643D+00  0.477590D+00  0.730755D+00 -0.473937D+01  0.194814D+01
      3  -0.654144D-01  0.730755D+00  0.818902D-02  0.382891D+00  0.780345D+00
               111           112           113           114           115 
      1   0.382891D+00 -0.552583D+01 -0.151463D+01  0.105214D+01  0.274768D+00
      2   0.780345D+00 -0.151463D+01  0.153684D+01  0.102867D+01  0.900882D+00
      3  -0.922169D-01  0.105214D+01  0.102867D+01  0.601185D+01 -0.230533D+01
               116           117           118           119           120 
      1   0.900882D+00 -0.230533D+01  0.675687D+01 -0.312295D+01 -0.365122D+00
      2   0.641695D+00  0.466095D+01 -0.312295D+01  0.278873D+01  0.126790D-01
      3   0.466095D+01 -0.113263D+01 -0.365122D+00  0.126790D-01  0.226178D+00
               121           122           123           124           125 
      1  -0.419826D+01  0.461990D+01 -0.189186D+00 -0.458184D+00 -0.209687D+00
      2   0.461990D+01 -0.555052D+01  0.874212D-01 -0.209687D+00  0.262570D+00
      3  -0.189186D+00  0.874212D-01 -0.505693D+00 -0.465896D+00 -0.101123D-02
               126           127           128           129           130 
      1  -0.465896D+00  0.169608D+01  0.277807D+01 -0.385348D+00  0.331202D+01
      2  -0.101123D-02  0.277807D+01  0.222818D+01 -0.447707D+00  0.369379D+01
      3   0.128311D+00 -0.385348D+00 -0.447707D+00  0.445321D+00 -0.568220D+00
               131           132           133           134           135 
      1   0.369379D+01 -0.568220D+00 -0.501894D+00 -0.647554D+00  0.268250D+00
      2   0.771028D+01 -0.101706D+01 -0.647554D+00 -0.104686D+01  0.119650D+00
      3  -0.101706D+01  0.962703D+00  0.268250D+00  0.119650D+00 -0.155235D+00
               136           137           138           139           140 
      1  -0.772702D+00 -0.159110D+01  0.245926D+00 -0.440073D+00 -0.128030D+01
      2  -0.159110D+01 -0.234495D+01  0.399372D+00 -0.128030D+01 -0.917043D+01
      3   0.245926D+00  0.399372D+00 -0.240476D+00  0.125966D+00  0.103502D+01
               141           142           143           144           145 
      1   0.125966D+00  0.163671D+00  0.324388D+00  0.895191D-01  0.112949D+01
      2   0.103502D+01  0.324388D+00  0.123817D+01 -0.129488D+00  0.174017D+01
      3  -0.893282D+00  0.895191D-01 -0.129488D+00  0.987093D-01 -0.268385D+00
               146           147           148           149           150 
      1   0.174017D+01 -0.268385D+00  0.782179D+00  0.179525D+01 -0.161122D+00
      2   0.272812D+01 -0.425112D+00  0.179525D+01  0.104918D+02 -0.109376D+01
      3  -0.425112D+00  0.255178D+00 -0.161122D+00 -0.109376D+01  0.933504D+00
               151           152           153           154           155 
      1   0.216089D+00 -0.450489D+00  0.622300D-01 -0.564117D+01  0.346538D+01
      2  -0.450489D+00 -0.141537D+01  0.112014D+00  0.346538D+01 -0.353586D+01
      3   0.622300D-01  0.112014D+00 -0.743426D-01  0.270671D+00 -0.627397D-01
               156           157           158           159           160 
      1   0.270671D+00  0.377920D+01 -0.466502D+01  0.172511D+00  0.103752D+00
      2  -0.627397D-01 -0.466502D+01  0.625518D+01 -0.792788D-02  0.283945D+00
      3  -0.380841D+00  0.172511D+00 -0.792788D-02  0.668122D+00  0.437625D+00
               161           162           163           164           165 
      1   0.283945D+00  0.437625D+00  0.909621D+00 -0.903395D+00  0.142003D+01
      2  -0.292421D+00  0.202200D+00 -0.903395D+00 -0.387362D+00  0.665962D+00
      3   0.202200D+00 -0.217320D+00  0.142003D+01  0.665962D+00 -0.158876D+00
               166           167           168           169           170 
      1  -0.247093D+01 -0.263088D+01  0.681331D+00  0.191714D+01  0.110438D+01
      2  -0.263088D+01 -0.553043D+01  0.865043D+00  0.110438D+01  0.786291D+00
      3   0.681331D+00  0.865043D+00 -0.854410D+00  0.218298D-01 -0.202446D-01
               171           172           173           174           175 
      1   0.218298D-01 -0.161097D+01  0.225284D+01  0.214387D+00  0.446592D+01
      2  -0.202446D-01  0.225284D+01 -0.168355D+01 -0.241984D+00 -0.236273D+01
      3   0.219692D+00  0.214387D+00 -0.241984D+00 -0.909348D+00 -0.559019D+00
               176           177           178           179           180 
      1  -0.236273D+01 -0.559019D+00 -0.144771D+00 -0.270800D+00 -0.127579D+01
      2   0.496282D+01  0.414792D+00 -0.270800D+00  0.314908D+00  0.548781D+00
      3   0.414792D+00  0.977269D+00 -0.127579D+01  0.548781D+00  0.406277D+00
               181           182           183           184           185 
      1   0.101200D+02  0.135236D+01 -0.160684D+01 -0.188054D+01 -0.203115D+01
      2   0.135236D+01 -0.150659D+01 -0.386728D+00 -0.203115D+01  0.241924D+01
      3  -0.160684D+01 -0.386728D+00 -0.301862D+01  0.810409D+00 -0.251317D+00
               186           187           188           189           190 
      1   0.810409D+00  0.288486D+01  0.459327D+00 -0.421126D+01  0.476592D+01
      2  -0.251317D+00  0.459327D+00  0.202604D+00 -0.330970D+01 -0.958729D+00
      3  -0.505414D+01 -0.421126D+01 -0.330970D+01 -0.425686D+00  0.276643D+01
               191           192           193           194           195 
      1  -0.958729D+00  0.276643D+01 -0.432630D+01 -0.686273D+00 -0.248671D+01
      2  -0.371629D+00 -0.106335D+01 -0.686273D+00 -0.183567D-01  0.302094D+00
      3  -0.106335D+01  0.124305D+01 -0.248671D+01  0.302094D+00 -0.482085D+01
               196           197           198           199           200 
      1   0.433944D+01 -0.163624D+01  0.582861D+00  0.143512D+02  0.188583D+01
      2  -0.163624D+01  0.221669D-02 -0.274629D+01  0.188583D+01  0.980508D+00
      3   0.582861D+00 -0.274629D+01  0.621142D+00 -0.132160D+01 -0.195610D+00
               201           202           203           204           205 
      1  -0.132160D+01  0.557787D+01  0.162349D+01 -0.513764D+00 -0.173004D+01
      2  -0.195610D+00  0.162349D+01  0.134743D+01 -0.287996D+00 -0.228093D+00
      3   0.122531D+01 -0.513764D+00 -0.287996D+00  0.357775D+00  0.169122D+01
               206           207           208           209           210 
      1  -0.228093D+00  0.169122D+01 -0.882086D+00  0.520279D-01 -0.684576D+00
      2  -0.280613D+00 -0.178674D+00  0.520279D-01 -0.581374D+00 -0.128371D+00
      3  -0.178674D+00 -0.414908D+00 -0.684576D+00 -0.128371D+00 -0.583983D+00
               211           212           213           214           215 
      1  -0.181798D+01  0.195087D+01  0.129304D+01 -0.345131D+01  0.156296D+01
      2   0.195087D+01 -0.362035D+01 -0.260613D+01  0.156296D+01 -0.271950D+01
      3   0.129304D+01 -0.260613D+01 -0.310826D+01  0.240149D+01 -0.315599D+01
               216           217           218           219           220 
      1   0.240149D+01  0.812101D+00 -0.158961D+00  0.121368D+01 -0.144024D+01
      2  -0.315599D+01 -0.158961D+00 -0.143879D+00 -0.430472D+00  0.181395D+01
      3  -0.440651D+01  0.121368D+01 -0.430472D+00  0.881518D-01 -0.135823D+01
               221           222           223           224           225 
      1   0.181395D+01 -0.135823D+01  0.488133D+01 -0.197861D+01  0.301209D+01
      2  -0.233360D+01  0.171020D+01 -0.197861D+01  0.216499D+01 -0.274709D+01
      3   0.171020D+01 -0.256678D+01  0.301209D+01 -0.274709D+01  0.521767D+01
               226           227           228           229           230 
      1   0.427359D-01  0.421659D+00  0.994991D+00  0.150749D+01  0.356873D+00
      2   0.421659D+00  0.580933D+00  0.399473D+00  0.356873D+00  0.103905D+01
      3   0.994991D+00  0.399473D+00  0.240853D+01 -0.325010D+00  0.151471D+01
               231           232           233           234           235 
      1  -0.325010D+00  0.129906D+01  0.196770D+00  0.212159D+00  0.512868D+00
      2   0.151471D+01  0.196770D+00  0.130138D+01  0.169122D+01 -0.543389D+00
      3   0.362044D+01  0.212159D+00  0.169122D+01  0.763910D+01 -0.233557D+00
               236           237           238           239           240 
      1  -0.543389D+00 -0.233557D+00 -0.221946D+01  0.451172D-01  0.427900D+00
      2   0.118947D+01 -0.352692D+00  0.451172D-01 -0.511582D+01  0.109478D+01
      3  -0.352692D+00  0.110300D+01  0.427900D+00  0.109478D+01 -0.141590D+01
               241           242           243           244           245 
      1  -0.726150D+00 -0.256935D+00  0.602378D+00 -0.152829D+02 -0.188771D+01
      2  -0.256935D+00  0.331967D+00 -0.336164D+00 -0.188771D+01 -0.102663D+01
      3   0.602378D+00 -0.336164D+00  0.111420D+00  0.395780D+01  0.581029D+00
               246           247           248           249           250 
      1   0.395780D+01 -0.169829D+01 -0.129416D+01  0.289853D+00  0.127391D+01
      2   0.581029D+00 -0.129416D+01 -0.544757D+00  0.463735D+00  0.177465D+00
      3  -0.240824D+01  0.289853D+00  0.463735D+00  0.223671D+00 -0.147169D+01
               251           252           253           254           255 
      1   0.177465D+00 -0.147169D+01 -0.912057D+01  0.268183D+01 -0.447029D+01
      2  -0.219545D-01  0.562450D-01  0.268183D+01 -0.130731D+01  0.892445D+00
      3   0.562450D-01  0.973896D+00 -0.447029D+01  0.892445D+00 -0.284417D+01
               256           257           258           259           260 
      1   0.725685D+01 -0.194175D+01  0.265457D+01 -0.973334D+01  0.124613D+01
      2  -0.194175D+01  0.389880D+01 -0.234040D+01  0.124613D+01 -0.189163D+01
      3   0.265457D+01 -0.234040D+01  0.371922D+01 -0.586912D+01  0.272691D+01
               261           262           263           264           265 
      1  -0.586912D+01 -0.134478D-01 -0.127054D+01  0.449304D+00 -0.474197D+01
      2   0.272691D+01 -0.127054D+01  0.822131D+00  0.101100D+01 -0.660490D+00
      3  -0.753334D+01  0.449304D+00  0.101100D+01  0.164564D+01  0.106270D+01
               266           267           268           269           270 
      1  -0.660490D+00  0.106270D+01  0.917306D+00  0.182324D+01  0.239527D+01
      2  -0.365026D+01  0.831918D+00  0.182324D+01  0.272240D+01  0.168523D+01
      3   0.831918D+00  0.132038D+01  0.239527D+01  0.168523D+01  0.461256D+01
               271           272           273           274           275 
      1  -0.164829D+01 -0.161945D+01 -0.152431D+01 -0.949172D+00 -0.130182D+01
      2  -0.161945D+01 -0.146270D+01 -0.112542D+01 -0.130182D+01 -0.274160D+01
      3  -0.152431D+01 -0.112542D+01 -0.158261D+01 -0.925553D+00 -0.156703D+01
               276           277           278           279 
      1  -0.925553D+00 -0.253951D+01 -0.214297D+01 -0.296556D+01
      2  -0.156703D+01 -0.214297D+01 -0.335203D+01 -0.335476D+01
      3  -0.180367D+01 -0.296556D+01 -0.335476D+01 -0.539156D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.619514D+00  0.515742D+01 -0.266463D+01  0.425284D+01 -0.126713D+01
      2  -0.107762D+02  0.464500D+01  0.245096D+01  0.616397D+01 -0.322338D+01
      3   0.101374D+02  0.157743D+02 -0.190055D+01  0.371787D+02 -0.148358D+01
                 6             7             8             9            10 
      1   0.362115D+01 -0.722473D+00  0.148918D+02 -0.148440D+01  0.426159D-01
      2  -0.514931D+00  0.373464D+01  0.183582D+01 -0.236021D+01 -0.204497D+01
      3  -0.269371D+01 -0.446237D+01 -0.272471D+01  0.465903D+01 -0.211600D+02
                11            12            13            14            15 
      1   0.371770D+01  0.598714D+01 -0.286197D-01  0.237493D-01 -0.204130D+01
      2   0.988663D+00  0.849739D+01  0.147058D+01 -0.262955D+01 -0.453444D+01
      3   0.173082D+01 -0.147126D+00 -0.203985D+02 -0.106076D+02  0.320550D+01
                16            17            18            19            20 
      1   0.121669D+02  0.494329D+01 -0.279314D+01 -0.260393D+01 -0.438808D+01
      2  -0.485024D+01 -0.116903D+02  0.215272D+00  0.838568D+01 -0.609066D+01
      3   0.361257D+01  0.143494D+01  0.318161D+00 -0.395052D+02 -0.281741D+02
                21            22            23            24            25 
      1   0.104444D+01 -0.115592D+01  0.241805D+01 -0.376898D+01 -0.738996D+01
      2   0.277847D+01 -0.655432D+01  0.563076D+01  0.518744D+01 -0.166876D+02
      3   0.502533D+01  0.997526D+01  0.793659D+01 -0.294073D+01  0.439827D+01
                26            27            28            29            30 
      1   0.255443D+01  0.837848D+00  0.111465D+01  0.515996D+01 -0.115764D+01
      2   0.190084D+02 -0.218056D+01 -0.141401D+02  0.905703D+01 -0.458369D+01
      3  -0.132674D+01 -0.103799D+02  0.332427D+02  0.413110D+02 -0.653517D+01
                31            32            33            34            35 
      1   0.453944D+01  0.224700D-01  0.121315D+01 -0.560550D+01  0.699310D+01
      2  -0.684994D+01 -0.187890D+01  0.888694D+00 -0.189183D+02  0.154549D+01
      3   0.705483D+02 -0.325228D+02 -0.252545D+01 -0.812024D+01 -0.185000D+01
                36            37            38            39            40 
      1  -0.416455D-02 -0.193296D+00  0.332591D+01 -0.106397D+01  0.319933D+01
      2   0.162468D+01  0.124592D+02  0.254189D+01 -0.661959D+00  0.116832D+02
      3   0.534007D+00 -0.166929D+02  0.468946D+02 -0.502632D+01  0.212644D+02
                41            42            43            44            45 
      1  -0.384627D+01 -0.290563D+00 -0.419439D+01  0.816538D+01 -0.383562D+00
      2  -0.528413D+01 -0.419518D+00 -0.220724D+02  0.246119D+01  0.162219D+01
      3  -0.303646D+02  0.168089D+01  0.266530D+01 -0.278986D+01  0.894698D+00
                46            47            48            49            50 
      1   0.187440D+01 -0.540082D+01 -0.514755D+01 -0.100276D+01  0.218729D+01
      2   0.619454D-01 -0.476686D+01 -0.640366D+01 -0.142760D+01  0.221730D+01
      3   0.371878D+02 -0.340895D+02  0.345018D+01 -0.716291D+01  0.351265D+02
                51            52            53            54            55 
      1  -0.286915D+01 -0.727906D+01 -0.253077D+01  0.193805D+01  0.189573D+01
      2  -0.215163D+01 -0.226843D+02 -0.330094D+01  0.441295D+01  0.328222D+01
      3  -0.192340D+01  0.155258D+01  0.189718D+01  0.110617D+02  0.354311D+02
                56            57            58            59            60 
      1  -0.179840D+01 -0.556656D+01 -0.283010D+01  0.182723D+01 -0.403240D+01
      2  -0.614519D+01  0.366494D+00 -0.331737D+01  0.434018D+01 -0.360006D+00
      3  -0.347959D+02  0.197710D+01 -0.675424D+01  0.270500D+02 -0.150250D+01
                61            62            63            64            65 
      1  -0.841738D+01 -0.540641D+01  0.396669D+01 -0.364022D-01 -0.190599D+01
      2  -0.170909D+02  0.267809D+00  0.166322D+01 -0.345314D+01  0.167440D+01
      3  -0.124178D+00  0.182678D+01  0.503874D+01 -0.190167D+02  0.575957D+01
                66            67            68            69            70 
      1   0.719197D+01  0.327437D+01 -0.199711D+01 -0.732822D+00  0.150830D+02
      2   0.343335D+01 -0.704658D+01 -0.557449D+00 -0.244262D+01 -0.408903D+01
      3  -0.174426D+01  0.984280D+01 -0.564517D+00 -0.170466D+01 -0.249412D+01
                71            72            73            74            75 
      1   0.567692D+01 -0.297445D+01 -0.608883D+01  0.191096D+01 -0.107769D+00
      2  -0.890866D+01  0.201624D+01  0.158241D+02 -0.157881D+01 -0.471897D+00
      3  -0.901046D+00 -0.634685D+01 -0.414583D+02  0.129638D+02  0.609862D+00
                76            77            78            79            80 
      1   0.152606D+01  0.534728D+01  0.219980D+00  0.271194D+01  0.140482D+02
      2   0.369540D+00 -0.801634D-01  0.195895D+01 -0.988498D+01  0.213918D+01
      3   0.336764D+02 -0.114732D+02  0.108411D+01 -0.181042D+01 -0.149966D+01
                81            82            83            84            85 
      1  -0.248458D+01 -0.768731D+00 -0.126123D+01  0.783574D+00 -0.145208D+01
      2   0.180428D+01 -0.183045D+02  0.647221D+00  0.346216D+00  0.831755D+01
      3  -0.444239D+01  0.178889D+02 -0.414413D+02  0.525288D+01 -0.122335D+02
                86            87            88            89            90 
      1  -0.103794D+01 -0.117042D+01 -0.520052D+01  0.353987D+01 -0.887278D+00
      2   0.395710D+00  0.206429D+01 -0.180084D+02  0.953111D+01 -0.545902D+00
      3   0.595021D+01 -0.792661D+00  0.108732D+01  0.256888D+01 -0.207023D+01
                91            92            93            94            95 
      1   0.339297D+01  0.210325D+01  0.516054D+00  0.498893D+01 -0.126663D+01
      2  -0.429008D+01  0.685722D+00 -0.205918D+01 -0.462542D+01 -0.514615D+00
      3   0.109890D+02  0.237881D+01  0.629348D+00  0.289191D+02 -0.155164D+02
                96            97            98            99           100 
      1  -0.519716D+01  0.351668D+01  0.186226D+01  0.160866D+01  0.105305D+01
      2  -0.101574D+02 -0.371813D+02 -0.887328D+01 -0.223634D+01  0.422274D+01
      3  -0.219046D+01  0.873862D+01 -0.128511D+01  0.163855D+02 -0.399624D+01
               101           102           103           104           105 
      1  -0.494452D+01  0.313670D+01  0.675220D-01 -0.123544D+01 -0.503702D+01
      2  -0.370984D+01  0.130264D+02 -0.136357D+01 -0.191303D+01 -0.635187D+01
      3  -0.397344D+02  0.231743D+01 -0.248420D+01 -0.789114D+01  0.169110D+01
               106           107           108           109           110 
      1   0.121224D+01 -0.152205D+01  0.152048D+00  0.158057D+01  0.175702D+01
      2  -0.675227D+01  0.280307D+01 -0.552977D+00  0.175955D+01  0.468599D+01
      3   0.734475D+00  0.449984D+01 -0.339425D+01  0.379749D+02  0.475454D+01
               111           112           113           114           115 
      1  -0.125128D+01  0.126777D+01 -0.651551D+00  0.650338D+01 -0.111610D+02
      2  -0.162041D+01  0.591590D+01  0.487535D+01  0.383418D+02 -0.170607D+02
      3  -0.707469D+01  0.200196D+02 -0.258338D+02 -0.686408D+01 -0.647034D+01
               116           117           118           119           120 
      1   0.853223D+01 -0.241279D+01 -0.152703D+01  0.470452D+00  0.164995D+01
      2   0.296890D+02 -0.748312D+01 -0.246972D+01  0.578803D+00  0.149899D+01
      3  -0.510296D+01 -0.298130D+02 -0.631703D+01 -0.441806D+01  0.872553D+00
               121           122           123           124           125 
      1  -0.731773D-01 -0.190097D+00 -0.284690D+01 -0.245748D+01  0.124263D+01
      2  -0.177797D-01 -0.224975D+00 -0.282438D+01 -0.275181D+01  0.247317D+00
      3  -0.586406D+01  0.128458D+02 -0.107710D+00  0.200470D+01 -0.863024D+00
               126           127           128           129           130 
      1   0.339259D+00  0.128711D+00  0.203005D+00 -0.143753D+01  0.295863D+00
      2   0.614194D+00 -0.894217D+00 -0.103376D+01  0.192726D+01 -0.105188D+01
      3   0.794154D+00 -0.416869D+01 -0.393871D+01  0.782292D+00 -0.231818D+01
               131           132           133           134           135 
      1  -0.178942D+00 -0.376485D+01  0.378150D-03  0.186646D+01  0.419387D+00
      2  -0.269232D+01  0.356936D+01 -0.187260D+01 -0.178276D+00 -0.310119D+00
      3  -0.187487D+02  0.213000D+01  0.980026D+00  0.230842D+01  0.412554D+00
               136           137           138           139           140 
      1   0.343113D+00  0.130530D+00 -0.140784D+01 -0.464015D-01 -0.485930D+00
      2   0.941751D+00  0.953805D+00  0.200595D+00  0.611351D+00  0.190630D+01
      3   0.789659D+01  0.560148D+01 -0.130174D+01  0.629366D+01  0.185177D+02
               141           142           143           144           145 
      1  -0.424611D+01  0.636362D+00  0.296096D+01  0.139992D+00  0.100157D+01
      2  -0.384986D+00 -0.275806D+00  0.725666D-01 -0.201755D+00  0.398656D+00
      3  -0.220816D+01 -0.164068D+01 -0.287057D+01 -0.426041D+00  0.560343D+01
               146           147           148           149           150 
      1   0.109036D+01 -0.170506D+01  0.724725D+00  0.277085D+01 -0.523426D+01
      2   0.501764D-02  0.881545D+00  0.266990D+00 -0.132771D+00  0.119747D+01
      3   0.287834D+01 -0.867275D+00  0.546744D+01  0.392819D+01 -0.643900D+00
               151           152           153           154           155 
      1   0.130129D+01  0.227731D+01  0.223885D+00  0.111948D+00 -0.452341D+00
      2  -0.127863D+01  0.101781D+01 -0.537084D+00 -0.452215D-01 -0.200180D+00
      3  -0.792366D+00 -0.121502D+01 -0.790849D+00 -0.101147D+02  0.128993D+01
               156           157           158           159           160 
      1   0.246203D+01 -0.171138D+01  0.157276D+01 -0.345355D+01 -0.270348D+01
      2   0.186562D+01 -0.785162D+00  0.536739D+00 -0.260942D+01 -0.231170D+01
      3   0.443956D+00  0.365562D+01  0.749025D+00  0.266707D+00  0.129782D+01
               161           162           163           164           165 
      1   0.997680D+00  0.673590D+00  0.242975D+01  0.118213D+01 -0.653619D+00
      2   0.213626D-02  0.354007D+00 -0.130183D+01 -0.254147D+00 -0.269298D+00
      3   0.196921D+00  0.954516D+00 -0.308453D+01 -0.108254D+01 -0.172618D+01
               166           167           168           169           170 
      1  -0.141433D+00 -0.183055D+01 -0.310881D+01 -0.564705D-01  0.265424D+01
      2   0.766224D+00 -0.195339D+00  0.143658D+01 -0.261591D+01 -0.134116D+01
      3   0.383979D+01 -0.501148D+01  0.403426D-01 -0.428814D+01 -0.556666D+00
               171           172           173           174           175 
      1   0.672472D+00  0.113278D+01 -0.788774D+00  0.968558D+00 -0.384383D+00
      2   0.318942D+00 -0.331371D-01 -0.439213D+00  0.391787D+01 -0.160871D-01
      3   0.358391D-01  0.826412D+01 -0.692946D+01 -0.895128D+00 -0.224660D+01
               176           177           178           179           180 
      1   0.286013D+01 -0.234692D+01  0.163935D+00  0.142187D+01  0.325623D+00
      2   0.292134D+00 -0.363125D+01  0.260641D+01 -0.130204D+01 -0.786949D+00
      3   0.182219D+02  0.607030D+00 -0.166503D+01  0.126266D+01  0.979435D+00
               181           182           183           184           185 
      1   0.232168D+01 -0.575844D+01 -0.190714D+01 -0.364018D+01  0.695152D+01
      2  -0.134202D+02 -0.222840D+01  0.177207D+02 -0.412367D+01  0.547153D+01
      3  -0.183902D+01 -0.127651D+02  0.212624D+01 -0.122481D+02  0.144273D+02
               186           187           188           189           190 
      1  -0.502315D+01  0.993024D+00 -0.265338D+00 -0.962937D+01 -0.429815D+00
      2   0.174021D+02  0.136562D+02  0.114576D+02  0.866725D+01  0.938933D+01
      3   0.147113D+01  0.703223D+01  0.217234D+00 -0.135615D+02 -0.885205D+01
               191           192           193           194           195 
      1  -0.721570D+01 -0.353983D+01 -0.835779D+01  0.143549D+01 -0.134650D+01
      2   0.550488D+01  0.473673D+01  0.183099D+02 -0.745920D-01  0.175426D+02
      3  -0.728421D+01 -0.676070D+01 -0.416449D+01  0.452276D+00  0.438896D+01
               196           197           198           199           200 
      1   0.135808D+01 -0.103653D+01  0.917495D+00 -0.152588D+01 -0.852463D+00
      2  -0.532190D+01  0.940881D+01 -0.133468D+02 -0.408338D+01 -0.812097D+00
      3  -0.635776D+01  0.167158D+02 -0.119465D+02 -0.213372D+02 -0.111806D+02
               201           202           203           204           205 
      1   0.414340D+00 -0.774166D+00 -0.687283D+00 -0.663123D+00  0.153767D+01
      2   0.953584D+01 -0.168847D+01 -0.125416D+01  0.250472D+01  0.802821D+01
      3   0.232512D+01 -0.121125D+02 -0.936255D+01  0.206771D+01  0.262449D+01
               206           207           208           209           210 
      1   0.294502D+00 -0.619926D-01  0.486821D+00  0.726349D-01 -0.120200D+01
      2  -0.108967D+01 -0.219191D+01 -0.549554D+01 -0.102710D+01 -0.278198D+01
      3   0.231557D+01  0.519309D+00  0.212152D+01  0.269246D+01  0.166651D+01
               211           212           213           214           215 
      1   0.594426D+00  0.205873D+00 -0.370194D+01  0.212235D+01  0.312935D+00
      2   0.473227D+01 -0.135942D+02 -0.179267D+02  0.924583D+01 -0.179998D+02
      3  -0.860659D+01  0.258318D+02  0.151308D+02 -0.599224D+01  0.178114D+02
               216           217           218           219           220 
      1  -0.433435D+01  0.370776D+00 -0.226795D+00 -0.740819D-01 -0.160215D+01
      2  -0.241047D+02  0.808315D+01 -0.260893D+01  0.123720D+01 -0.685324D+01
      3   0.189342D+02  0.117591D+01 -0.508544D+00  0.170981D+01 -0.898730D+01
               221           222           223           224           225 
      1   0.185712D+01 -0.419614D+01  0.413539D+01 -0.938014D+00  0.700399D+01
      2   0.998166D+01 -0.157923D+02  0.139114D+02 -0.169153D+02  0.310625D+02
      3   0.177571D+02 -0.102003D+02  0.800136D+01 -0.150503D+02  0.167598D+02
               226           227           228           229           230 
      1   0.127649D+01  0.271139D+01  0.125063D+01  0.174511D+01  0.371318D+01
      2  -0.557250D+01 -0.220974D+01 -0.962411D+01 -0.242982D+01 -0.618982D+01
      3   0.147649D+01  0.212607D+01  0.156454D+00  0.309509D+01  0.324241D+01
               231           232           233           234           235 
      1   0.298951D+01  0.741438D+00  0.599030D+01  0.670024D+01 -0.291208D+01
      2  -0.124608D+02 -0.586706D+01 -0.712754D+01 -0.278262D+02 -0.157136D+01
      3   0.410825D+01 -0.382673D-01  0.387740D+01  0.429149D+01 -0.691652D+01
               236           237           238           239           240 
      1   0.302017D+01  0.119256D+01  0.152953D+01 -0.114704D+02 -0.149020D+01
      2   0.264127D+01 -0.280376D+01  0.269232D+01 -0.578241D+01  0.406200D+01
      3   0.584882D+01 -0.686180D+00  0.505575D+01 -0.211889D+02  0.369322D+01
               241           242           243           244           245 
      1   0.462962D+00  0.940066D+00 -0.144510D+01 -0.184343D+01 -0.286635D+01
      2  -0.173572D+01  0.121636D+01 -0.148427D+01  0.113524D+02  0.367543D+00
      3   0.860985D+00  0.810213D+00 -0.220880D+01 -0.205765D+01 -0.740026D+01
               246           247           248           249           250 
      1  -0.393102D+00 -0.211040D+01 -0.160732D+01 -0.343424D-01 -0.396503D+00
      2   0.645356D+01  0.153921D+01 -0.110457D+00 -0.100355D+01  0.194127D+01
      3   0.165439D+01 -0.325038D+01 -0.334748D+01  0.141134D+01 -0.986472D+00
               251           252           253           254           255 
      1   0.957395D+00  0.794509D+00 -0.394047D+01  0.526527D+01  0.239746D+01
      2  -0.614670D+00 -0.167765D+01  0.834549D+01 -0.250698D+01  0.110929D+02
      3   0.127291D+01  0.731605D+00  0.916089D+01 -0.952959D+01  0.420672D+01
               256           257           258           259           260 
      1   0.440339D+01 -0.601770D+01 -0.114133D+01 -0.142237D+01  0.922360D+01
      2  -0.139039D+02  0.746753D+01 -0.142835D+02  0.188862D+02 -0.969966D+01
      3  -0.187213D+01  0.183205D+02 -0.938681D+01 -0.349826D+01 -0.172851D+02
               261           262           263           264           265 
      1  -0.862526D+00  0.256204D+01  0.370837D+00  0.187994D+01 -0.215681D+01
      2   0.330355D+02 -0.444072D+01 -0.554407D+01 -0.399907D+01 -0.287189D+01
      3   0.901262D+01  0.135467D+01  0.417612D+01  0.472183D+01  0.209585D+01
               266           267           268           269           270 
      1   0.389034D+01 -0.582562D+01  0.919082D+00  0.124335D+01  0.662370D+01
      2  -0.202184D+01 -0.427528D+01 -0.813365D+01 -0.526632D+01 -0.148358D+02
      3  -0.176436D+02  0.347940D+01  0.862388D+01  0.822553D+01  0.428162D+01
               271           272           273           274           275 
      1  -0.630256D+00  0.210895D+00 -0.159575D+01 -0.925136D+00 -0.797817D+00
      2   0.381424D+01  0.366348D+01  0.496862D+01  0.208769D+01  0.523888D+01
      3  -0.349643D+01 -0.447739D+01 -0.274812D+01 -0.260746D+01 -0.869215D+01
               276           277           278           279 
      1  -0.264130D+01 -0.194855D+01 -0.322581D+00 -0.609429D+01
      2   0.596844D+01  0.781845D+01  0.114991D+02  0.192685D+02
      3  -0.478933D+01 -0.547375D+01 -0.119210D+02 -0.112187D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.132003D+03 -0.396159D+02 -0.450793D+01  0.997357D+01 -0.307608D+02
      2  -0.738152D+02  0.254780D+02  0.119127D+01 -0.129125D+02  0.320157D+02
      3  -0.581879D+02  0.141379D+02  0.331665D+01  0.293892D+01 -0.125483D+01
      4  -0.169606D+02  0.321118D+02 -0.133800D+01 -0.317444D+02 -0.645058D+02
      5   0.983882D+00 -0.736840D+00  0.662878D+01  0.789106D+01  0.571491D+01
      6  -0.432461D-01  0.144129D+01  0.489648D+01  0.559016D+01 -0.370457D+01
                 6             7             8             9            10 
      1   0.429840D+01 -0.225536D+01  0.801321D+01  0.265496D+02  0.199290D+01
      2  -0.536919D+01  0.346439D+01 -0.682892D+01 -0.243148D+02 -0.119211D+01
      3   0.107079D+01 -0.120903D+01 -0.118429D+01 -0.223480D+01 -0.800793D+00
      4   0.906314D+01  0.996306D+01  0.231017D+01 -0.410962D+01  0.323695D+02
      5  -0.158672D+01  0.526862D+02 -0.101112D+02 -0.422754D+01  0.425042D+01
      6  -0.550237D+01 -0.266569D+00  0.449921D+01  0.168228D+01 -0.579426D+01
                11            12            13            14            15 
      1   0.627650D+02 -0.448834D+01 -0.800602D+02  0.364025D+02  0.175704D+01
      2  -0.426249D+02  0.543519D+00  0.549994D+02 -0.296030D+02 -0.111690D+01
      3  -0.201402D+02  0.394482D+01  0.250609D+02 -0.679957D+01 -0.640135D+00
      4   0.412307D+02 -0.850377D+01  0.357974D+02  0.288188D+02 -0.879480D+01
      5  -0.983817D+01  0.181724D+02  0.365543D+01 -0.698471D+01 -0.107568D+02
      6   0.315495D+01 -0.124119D+02 -0.619798D+01  0.295429D+01  0.549207D+01
                16            17            18            19            20 
      1   0.119449D+02 -0.126647D+02  0.134840D+01 -0.109511D+03  0.148782D+02
      2  -0.109289D+02  0.980603D+01 -0.727722D+01  0.503200D+02 -0.606799D+01
      3  -0.101601D+01  0.285871D+01  0.592882D+01  0.591913D+02 -0.881016D+01
      4  -0.748221D+01 -0.937577D+01 -0.158365D+02  0.184465D+02 -0.360072D+02
      5   0.277427D+02 -0.172492D+02  0.250744D+01  0.713436D+01  0.668187D+01
      6  -0.165406D+02  0.110863D+02  0.287862D+01  0.538349D+01  0.101065D+01
                21            22            23            24            25 
      1   0.616342D+01  0.892136D+02 -0.140524D+02 -0.663552D+01  0.150584D+01
      2  -0.304993D+01 -0.573502D+02 -0.402658D+01  0.626255D+01  0.148174D+01
      3  -0.311350D+01 -0.318634D+02  0.180790D+02  0.372973D+00 -0.298758D+01
      4   0.584615D+01 -0.959641D+01  0.268555D+02  0.250903D+01  0.309231D+01
      5   0.309596D+01 -0.321014D+01  0.369064D+01  0.118118D+02  0.547150D+01
      6  -0.299073D+00  0.204474D+01  0.583507D+01  0.645765D+01  0.410463D+01
                26            27            28            29            30 
      1   0.231962D+01 -0.175234D+02  0.900513D+02 -0.598466D+01 -0.851191D+01
      2   0.309257D+01  0.998188D+00 -0.392445D+02  0.231296D+01  0.281296D+01
      3  -0.541219D+01  0.165252D+02 -0.508068D+02  0.367170D+01  0.569895D+01
      4   0.863799D+01  0.265499D+02 -0.187507D+02  0.509153D+01  0.413404D+00
      5   0.275776D+02 -0.395688D+01 -0.557342D+01 -0.172029D+01 -0.826636D+01
      6   0.160065D+02 -0.175062D+01 -0.368335D+01  0.150674D+01  0.132993D+01
                31            32            33            34            35 
      1   0.931870D+02 -0.338308D+02 -0.569262D+01 -0.190649D+02  0.328089D+01
      2  -0.444385D+02  0.289523D+02  0.924156D+00  0.867229D+01 -0.267604D+01
      3  -0.487486D+02  0.487856D+01  0.476846D+01  0.103926D+02 -0.604851D+00
      4  -0.182502D+02  0.133620D+02 -0.232436D+00  0.387126D+01 -0.523992D+00
      5   0.426278D+01 -0.258526D+01  0.250509D+00  0.947473D-01  0.294592D+01
      6  -0.302145D+01  0.609522D+00 -0.251211D+01  0.423104D+01  0.451050D+01
                36            37            38            39            40 
      1  -0.711435D+01 -0.884299D+02  0.520446D+02  0.214333D+00 -0.883572D+02
      2  -0.161878D+01  0.482606D+02 -0.333577D+02 -0.110638D+01  0.476286D+02
      3   0.873313D+01  0.401693D+02 -0.186869D+02  0.892047D+00  0.407285D+02
      4   0.290306D+01  0.556904D+02 -0.426814D+01 -0.311823D+01 -0.709665D+01
      5   0.232875D+01 -0.519714D+00 -0.146853D+01  0.377618D+00 -0.116105D+01
      6   0.873281D+00 -0.164658D+01 -0.799896D+00  0.157290D+01  0.448344D+01
                41            42            43            44            45 
      1   0.915442D+00  0.679041D+01  0.147220D+02 -0.658354D+01 -0.119449D+02
      2   0.307360D+01 -0.487915D+01 -0.740548D+01  0.386222D+01 -0.538330D+00
      3  -0.398905D+01 -0.191126D+01 -0.731652D+01  0.272132D+01  0.124832D+02
      4  -0.399509D+01  0.150956D+01 -0.491867D+01  0.105072D+01  0.122329D+01
      5   0.286108D+01  0.694384D-01 -0.427194D+00 -0.122537D+01  0.151488D+01
      6  -0.276731D+01 -0.288678D+00  0.217008D+01  0.336091D+01 -0.986842D-01
                46            47            48            49            50 
      1  -0.150726D+01 -0.581729D+02  0.248520D+01  0.240886D+01  0.231502D+02
      2  -0.308814D+01  0.379991D+02  0.213226D-01 -0.574016D+01 -0.229526D+02
      3   0.459540D+01  0.201738D+02 -0.250652D+01  0.333130D+01 -0.197585D+00
      4  -0.397820D+02 -0.338050D+02  0.546293D+01  0.333325D+02 -0.179457D+02
      5  -0.223280D+01  0.620276D+01 -0.141620D+02 -0.202644D+01 -0.173882D+00
      6   0.545971D+01  0.205240D+01  0.101145D+02  0.834258D-01  0.567282D+01
                51            52            53            54            55 
      1  -0.515362D+01 -0.246650D+01 -0.178877D+00 -0.227650D+02  0.181692D+02
      2   0.551909D+01  0.270101D+01  0.526870D+01  0.701124D+01 -0.134469D+02
      3  -0.365475D+00 -0.234513D+00 -0.508982D+01  0.157538D+02 -0.472228D+01
      4  -0.138226D+01 -0.557142D+00  0.472954D+01 -0.120069D+02  0.748087D+01
      5  -0.230827D+01  0.979807D-01 -0.137501D+02  0.755353D+01  0.719175D+01
      6   0.674635D+01  0.894852D+00  0.206211D+02 -0.453647D+01  0.125506D+01
                56            57            58            59            60 
      1  -0.554788D+02 -0.990334D+00  0.146643D+02 -0.395517D+00 -0.390434D+01
      2   0.477296D+02  0.538882D+00 -0.144818D+02 -0.999511D+01  0.506521D+01
      3   0.774922D+01  0.451453D+00 -0.182485D+00  0.103906D+02 -0.116087D+01
      4  -0.771589D+01  0.735650D+00  0.222878D+01 -0.110976D+02  0.242798D+01
      5   0.380486D+01 -0.183593D+01 -0.203669D+01  0.215369D+01  0.163886D+01
      6   0.727694D+01  0.113036D+02  0.129121D+01  0.800066D+01  0.943445D+01
                61            62            63            64            65 
      1  -0.593187D+01  0.990484D+00 -0.250176D+02 -0.102770D+02  0.759891D+02
      2   0.549897D+01  0.292366D+01  0.144371D+02  0.319965D+01 -0.648686D+02
      3   0.432897D+00 -0.391414D+01  0.105805D+02  0.707732D+01 -0.111204D+02
      4   0.669499D+00  0.546908D+01  0.603968D+01  0.495307D+01 -0.149406D+02
      5   0.501683D+01  0.508329D+00  0.243596D+01 -0.909014D+00 -0.523645D+01
      6   0.547732D+01  0.270270D+02 -0.392491D+01 -0.321361D+01 -0.147471D+01
                66            67            68            69            70 
      1  -0.461343D+01 -0.245208D+02  0.365705D+02 -0.624682D+01  0.106978D+02
      2   0.350704D+01  0.277454D+02 -0.400742D+02  0.298465D+01 -0.818538D+01
      3   0.110640D+01 -0.322467D+01  0.350369D+01  0.326217D+01 -0.251240D+01
      4   0.141949D+00  0.107621D+02  0.111072D+02 -0.323672D+01 -0.312242D+01
      5   0.821138D+01  0.192893D+01 -0.596637D+01 -0.666135D+01  0.252171D+02
      6  -0.135581D+02 -0.732418D+01  0.110679D+01  0.422429D+01 -0.204782D+02
                71            72            73            74            75 
      1  -0.171878D+02 -0.134719D+02 -0.154546D+01  0.721110D+01  0.157377D+01
      2   0.141904D+02  0.342198D+01 -0.113681D+02 -0.101778D+02  0.245295D+01
      3   0.299734D+01  0.100499D+02  0.129136D+02  0.296669D+01 -0.402672D+01
      4  -0.432460D+00 -0.109540D+02  0.206639D+02  0.982596D+01 -0.207754D+01
      5  -0.752760D+01 -0.763755D+00 -0.696035D+01 -0.129619D+01  0.273587D+01
      6   0.159640D+02  0.644228D+01  0.211688D+01 -0.283877D+01 -0.293463D+01
                76            77            78            79            80 
      1   0.302889D+02 -0.723052D+02  0.435676D+01  0.106215D+02  0.487306D+01
      2  -0.211799D+02  0.714360D+02 -0.579218D+01 -0.189878D+01 -0.647354D+01
      3  -0.910900D+01  0.869190D+00  0.143542D+01 -0.872267D+01  0.160047D+01
      4  -0.413199D+02 -0.939011D+00  0.193499D+01  0.558905D+01 -0.248223D+01
      5   0.524808D+01  0.409383D+01  0.283997D+01  0.291792D+02 -0.252744D+01
      6   0.443508D+01  0.284872D+01 -0.277120D+01 -0.731759D+01  0.465974D+01
                81            82            83            84            85 
      1  -0.282670D+01  0.583925D+02 -0.575937D+02  0.562957D+00  0.837657D+01
      2  -0.805617D+01 -0.334573D+02  0.440943D+02 -0.257014D+01 -0.178852D+02
      3   0.108829D+02 -0.249352D+02  0.134995D+02  0.200719D+01  0.950860D+01
      4   0.383687D+01 -0.491857D+02  0.347338D+01  0.497100D+01  0.246870D+02
      5  -0.405806D+01  0.639027D+01  0.463828D+01 -0.288543D+01 -0.284250D+01
      6   0.324446D+01  0.348075D+01  0.338850D+01  0.693669D+00  0.114998D+01
                86            87            88            89            90 
      1   0.319613D+02 -0.104611D+01 -0.335186D+01  0.692128D+01 -0.794529D+01
      2  -0.359572D+02  0.494126D+01  0.112556D+01  0.334512D+00 -0.623365D+01
      3   0.399583D+01 -0.389515D+01  0.222630D+01 -0.725579D+01  0.141789D+02
      4  -0.484289D+01 -0.538489D+00  0.760192D+01  0.248679D+01  0.408354D+01
      5   0.382267D-01  0.594304D+01  0.380067D+01  0.100633D+02 -0.382836D+00
      6   0.786282D+00  0.360833D+01  0.297946D+01  0.678790D+01 -0.244921D+01
                91            92            93            94            95 
      1   0.182738D+02  0.927031D+01 -0.521413D+01 -0.156419D+01 -0.132868D+02
      2  -0.120654D+02 -0.310622D+01 -0.520573D+01  0.118255D+02  0.256182D+01
      3  -0.620839D+01 -0.616408D+01  0.104199D+02 -0.102613D+02  0.107249D+02
      4  -0.476550D+01 -0.171284D+02 -0.272092D+01 -0.312306D+02  0.305198D+02
      5   0.381645D+01 -0.283999D+01 -0.130241D+02  0.502257D+01  0.521722D+01
      6  -0.420975D+01  0.318944D+01 -0.384351D+01  0.489714D+01 -0.489711D+01
                96            97            98            99           100 
      1  -0.526674D+01 -0.129158D+02 -0.367316D+01 -0.119232D+02  0.374290D+01
      2  -0.663304D+01  0.213856D+01 -0.196265D-02  0.908616D+01 -0.459906D+01
      3   0.118998D+02  0.107772D+02  0.367513D+01  0.283705D+01  0.856159D+00
      4   0.415617D+01 -0.368588D+01  0.123638D+01 -0.260293D+02  0.297796D+02
      5  -0.251255D+02 -0.531899D+02 -0.204969D+02  0.983106D+01 -0.239447D+01
      6  -0.400771D+01 -0.106760D+02 -0.527718D+01  0.337483D+01 -0.217149D+00
               101           102           103           104           105 
      1   0.369163D+02  0.968017D+00  0.942762D+01  0.105176D+02 -0.402367D+01
      2  -0.223054D+02  0.151193D+01 -0.190973D+01 -0.411402D+01  0.288094D+01
      3  -0.146110D+02 -0.247994D+01 -0.751789D+01 -0.640354D+01  0.114273D+01
      4   0.346985D+01 -0.160338D+00  0.343952D+02  0.140657D+02 -0.399553D+01
      5  -0.194807D+00  0.253308D+02 -0.572562D+01 -0.238250D+01 -0.110263D+02
      6  -0.203661D+01 -0.570986D+01 -0.149513D+01  0.122986D+00  0.896520D+01
               106           107           108           109           110 
      1  -0.154661D+00 -0.380129D+01  0.117068D+01 -0.691392D+02 -0.483859D+02
      2   0.145447D+01  0.315952D+01  0.211333D-01  0.421637D+02  0.251938D+02
      3  -0.129981D+01  0.641765D+00 -0.119181D+01  0.269755D+02  0.231921D+02
      4  -0.476160D+01 -0.288555D+00  0.658604D+01 -0.471197D+02  0.105720D+02
      5   0.793586D+01  0.517034D+01 -0.351163D+01  0.107160D+02  0.916404D+01
      6   0.252826D+01  0.368331D+01 -0.139728D+01  0.254439D+01 -0.176889D+01
               111           112           113           114           115 
      1   0.108483D+02 -0.572038D+02  0.607652D+01  0.187335D+02  0.994307D+01
      2  -0.673543D+01  0.277137D+02 -0.370965D+01 -0.887359D+01 -0.482787D+01
      3  -0.411285D+01  0.294901D+02 -0.236688D+01 -0.985987D+01 -0.511519D+01
      4   0.826856D+01 -0.188102D+02  0.233141D+02  0.995260D+01  0.107398D+02
      5  -0.849756D+01  0.141457D+02  0.955683D+01  0.739752D+02 -0.267823D+02
      6   0.144880D+01  0.698344D+00 -0.503134D+01 -0.204326D+02  0.120845D+02
               116           117           118           119           120 
      1   0.143854D+02 -0.611771D+00  0.431775D+02 -0.127813D+02 -0.251721D+01
      2  -0.751047D+01 -0.263755D+01 -0.165111D+02 -0.596818D+00  0.143558D+01
      3  -0.687493D+01  0.324932D+01 -0.266663D+02  0.133781D+02  0.108163D+01
      4   0.591536D+01  0.501228D+02 -0.310477D+02  0.257293D+02  0.279937D+00
      5   0.531667D+02 -0.155905D+02 -0.113229D+01 -0.943921D+00  0.296228D+01
      6  -0.162111D+02 -0.116716D+00  0.605836D+00  0.103417D+00 -0.158907D+01
               121           122           123           124           125 
      1  -0.131333D+02  0.649471D+01 -0.353152D+00 -0.401555D+01  0.402717D+00
      2  -0.601147D+01  0.144063D+02  0.266395D+00  0.313418D+01 -0.107093D+01
      3   0.191448D+02 -0.209011D+02  0.867570D-01  0.881364D+00  0.668215D+00
      4   0.386400D+02 -0.434444D+02  0.730519D+00 -0.852367D+00  0.165940D+01
      5  -0.299394D+01  0.286389D+01 -0.458000D+01 -0.189531D+01 -0.559522D+00
      6   0.143152D+01 -0.131019D+01  0.431860D+01  0.133296D+01  0.101831D+01
               126           127           128           129           130 
      1  -0.117054D+01  0.363051D+01  0.772968D+01 -0.587840D+00  0.537019D+01
      2   0.115035D+01  0.367063D+01  0.171557D+01 -0.263215D-01  0.778513D+01
      3   0.201942D-01 -0.730114D+01 -0.944525D+01  0.614162D+00 -0.131553D+02
      4  -0.116415D+01  0.230551D+02  0.231946D+02 -0.375202D+01  0.309223D+02
      5   0.464867D+00 -0.220831D+01 -0.268288D+01  0.390704D+01 -0.305395D+01
      6  -0.527279D+00 -0.166221D+01 -0.203672D+01  0.227182D+01 -0.262092D+01
               131           132           133           134           135 
      1  -0.109987D+02  0.134573D+01 -0.713434D+00  0.248132D+00 -0.935757D+00
      2   0.284173D+02 -0.230362D+01 -0.555844D+00 -0.254222D+01  0.225744D+01
      3  -0.174186D+02  0.957893D+00  0.126928D+01  0.229409D+01 -0.132168D+01
      4   0.538578D+02 -0.681888D+01 -0.502328D+01 -0.777459D+01  0.199955D+01
      5  -0.431988D+01  0.622576D+01  0.233939D+01  0.394864D+00 -0.124376D+01
      6  -0.556351D+01  0.669365D+01  0.265011D+01  0.256916D+01 -0.172239D+01
               136           137           138           139           140 
      1  -0.654948D+01 -0.152433D+02  0.251254D+01 -0.720122D+01 -0.464316D+02
      2   0.696578D+01  0.148803D+02 -0.177017D+01  0.707479D+01  0.559917D+02
      3  -0.416305D+00  0.363086D+00 -0.742370D+00  0.126428D+00 -0.956014D+01
      4  -0.481479D+00  0.480413D+01 -0.414373D-01  0.253949D+01 -0.129891D+02
      5   0.479582D+00  0.439027D+00  0.107485D+01  0.192824D+00  0.381536D+01
      6  -0.137145D+01 -0.292494D+01  0.201878D+01 -0.100014D+01 -0.913114D+01
               141           142           143           144           145 
      1   0.557693D+01  0.159821D+01  0.664855D+01 -0.151292D+01 -0.562053D+01
      2  -0.501519D+01 -0.130672D+01 -0.703071D+01  0.181715D+01  0.924090D+01
      3  -0.561745D+00 -0.291489D+00  0.382165D+00 -0.304234D+00 -0.362037D+01
      4   0.181704D+01  0.139719D+00  0.124448D+01  0.168839D+01  0.759857D+01
      5  -0.191578D+01  0.162734D+01  0.596176D+00 -0.444064D+00  0.126134D+00
      6   0.739881D+01  0.204709D+00  0.269481D+01 -0.150170D+01 -0.101972D+01
               146           147           148           149           150 
      1  -0.107567D+02  0.197954D+01 -0.784692D+01 -0.517909D+02  0.560407D+01
      2   0.165695D+02 -0.206283D+01  0.110124D+02  0.738519D+02 -0.660167D+01
      3  -0.581279D+01  0.832862D-01 -0.316551D+01 -0.220610D+02  0.997604D+00
      4   0.159217D+02 -0.161237D+01  0.961192D+01  0.209962D+02 -0.182304D+01
      5  -0.108162D+00  0.218028D+01 -0.270332D+00  0.108933D+01  0.110015D+01
      6  -0.222169D+01  0.247153D+01 -0.884254D+00 -0.595236D+01  0.833255D+01
               151           152           153           154           155 
      1   0.111746D+01  0.714768D+01 -0.149050D+01  0.268640D+01  0.497207D+01
      2  -0.177234D+01 -0.931414D+01  0.202617D+01  0.983802D+01 -0.155826D+02
      3   0.654878D+00  0.216646D+01 -0.535675D+00 -0.125244D+02  0.106106D+02
      4  -0.122303D+01 -0.370728D+01  0.169784D+01 -0.282204D+02  0.247281D+02
      5  -0.189797D+00  0.177583D+01 -0.913465D+00 -0.155363D+01  0.449897D+00
      6  -0.630252D+00  0.272198D+01 -0.157951D+01  0.246732D+01 -0.206397D+01
               156           157           158           159           160 
      1   0.790179D-01  0.949242D+01 -0.193969D+02 -0.267929D-01 -0.196309D+01
      2   0.474778D-01 -0.223274D+02  0.363020D+02  0.637264D-02  0.203779D+01
      3  -0.126496D+00  0.128350D+02 -0.169051D+02  0.204203D-01 -0.747004D-01
      4   0.646014D+00  0.282133D+02 -0.342262D+02  0.270411D+00 -0.267807D+00
      5   0.349859D+01 -0.622397D+00  0.314136D+00 -0.355605D+01 -0.318854D+00
      6  -0.316066D+01 -0.924451D+00  0.214240D+01  0.549465D+01  0.200982D+01
               161           162           163           164           165 
      1   0.155680D+01 -0.638143D-02 -0.450463D+01 -0.311781D+01 -0.327148D+01
      2  -0.204090D+01  0.116668D+01  0.291570D+01  0.246392D+01  0.256512D+01
      3   0.484102D+00 -0.116030D+01  0.158893D+01  0.653896D+00  0.706355D+00
      4   0.104385D+01 -0.150081D+01 -0.136613D+01  0.457915D+01 -0.369826D+01
      5  -0.159485D+01  0.580827D+00 -0.970608D+01 -0.447377D+01  0.123721D+01
      6   0.202381D+01 -0.879428D+00 -0.445458D+01 -0.250609D+01  0.284820D+00
               166           167           168           169           170 
      1  -0.486619D+01 -0.168472D+02  0.213589D+01 -0.457380D+01 -0.697978D+00
      2   0.612916D+01  0.196522D+02 -0.954005D+00  0.305376D+01 -0.235788D+00
      3  -0.126298D+01 -0.280504D+01 -0.118188D+01  0.152005D+01  0.933766D+00
      4   0.102902D+02  0.158997D+02 -0.253962D+01 -0.575325D+01 -0.370442D+01
      5  -0.342489D+01 -0.220650D+01  0.305339D+01  0.346341D+00 -0.869955D+00
      6  -0.343336D+01 -0.644080D+01  0.516072D+01  0.922738D+00  0.184568D+01
               171           172           173           174           175 
      1  -0.292500D+01  0.144690D+02 -0.129215D+02 -0.778346D+00 -0.187154D+02
      2   0.253842D+01 -0.223050D+01  0.361719D+01  0.950265D+00  0.543407D+01
      3   0.386580D+00 -0.122385D+02  0.930435D+01 -0.171920D+00  0.132814D+02
      4   0.590608D+00 -0.222089D+02  0.197181D+02  0.254661D+01  0.251466D+02
      5  -0.147556D+01 -0.393673D+01  0.341755D+01  0.847494D+01  0.611822D+01
      6  -0.156040D+01  0.376906D+01 -0.270204D+01 -0.492460D+00 -0.395676D+01
               176           177           178           179           180 
      1   0.582415D+01  0.481760D+00 -0.661655D-01  0.103738D+01  0.289009D+01
      2   0.950262D+01  0.151556D+00  0.112606D+01 -0.115964D+01 -0.158332D+01
      3  -0.153268D+02 -0.633317D+00 -0.105990D+01  0.122255D+00 -0.130677D+01
      4  -0.412187D+02 -0.385853D+01  0.341710D+01 -0.282258D+01 -0.476522D+01
      5  -0.486402D+01 -0.790735D+01  0.110112D+02 -0.424259D+01 -0.353020D+01
      6   0.819871D+01  0.417368D+01 -0.204526D+01  0.584959D+01  0.187950D+01
               181           182           183           184           185 
      1  -0.839034D+02 -0.147200D+02  0.300929D+02 -0.923329D+01  0.225752D+02
      2   0.452697D+02  0.135725D+02 -0.407568D+01  0.379993D+01 -0.162436D+02
      3   0.386337D+02  0.114749D+01 -0.260172D+02  0.543336D+01 -0.633163D+01
      4  -0.164266D+02  0.137951D+02  0.510556D+01  0.192174D+02 -0.168439D+02
      5   0.394504D+02  0.697899D+01  0.138324D+02 -0.217018D+01 -0.572402D+01
      6   0.360568D+01 -0.856362D+01 -0.137323D+00 -0.950440D+01  0.100677D+02
               186           187           188           189           190 
      1   0.169304D+02  0.111023D+02  0.125775D+02  0.228991D+02 -0.202076D+02
      2   0.952098D+01  0.759582D+01  0.481587D+01 -0.177548D+01  0.213769D+02
      3  -0.264514D+02 -0.186981D+02 -0.173934D+02 -0.211236D+02 -0.116931D+01
      4   0.445163D+00 -0.582218D+01  0.325063D+00  0.273375D+02  0.163347D+02
      5   0.326423D+02  0.292862D+02  0.211643D+02 -0.825011D+01 -0.320442D+02
      6   0.274210D+01  0.657054D+01  0.238880D+01 -0.180526D+02  0.521862D+01
               191           192           193           194           195 
      1   0.677740D+01 -0.127659D+02  0.266037D+02  0.338899D+01  0.143502D+02
      2  -0.440313D+01  0.172221D+02 -0.288567D+02 -0.835361D+01 -0.176788D+02
      3  -0.237426D+01 -0.445622D+01  0.225297D+01  0.496463D+01  0.332854D+01
      4  -0.498520D+00  0.874299D+01  0.340443D+01 -0.576435D+01 -0.621288D+00
      5   0.933685D+01 -0.140959D+02  0.255335D+02 -0.278984D+01  0.403768D+02
      6  -0.525217D+01  0.598167D+01  0.217583D+01  0.104991D+01 -0.930388D+00
               196           197           198           199           200 
      1  -0.326831D+02  0.112805D+02 -0.629295D+01  0.190991D+03  0.231901D+02
      2   0.257527D+02 -0.106902D+02  0.176387D+02 -0.101755D+03 -0.131223D+02
      3   0.693037D+01 -0.590328D+00 -0.113458D+02 -0.892361D+02 -0.100677D+02
      4   0.205480D+02 -0.197435D+02  0.269905D+02  0.225280D+02  0.165680D+02
      5  -0.162793D+02  0.251201D+02 -0.206713D+02 -0.204145D+02 -0.264330D+01
      6   0.101964D+02 -0.578282D+01  0.116456D+02 -0.281442D+00 -0.702354D+00
               201           202           203           204           205 
      1  -0.161345D+02  0.650195D+02  0.202515D+02 -0.597020D+01 -0.206727D+02
      2   0.979791D+01 -0.349984D+02 -0.102936D+02  0.375412D+01  0.125767D+02
      3   0.633655D+01 -0.300211D+02 -0.995794D+01  0.221608D+01  0.809602D+01
      4  -0.228085D+01  0.248700D+02  0.170735D+02 -0.366896D+01 -0.277158D+01
      5   0.192504D+02 -0.709573D+01 -0.382147D+01  0.534745D+01  0.246772D+02
      6  -0.509254D+00 -0.111990D+01 -0.641765D+00  0.180130D+01 -0.160924D+00
               206           207           208           209           210 
      1  -0.324981D+01  0.167258D+02 -0.680482D+00 -0.421030D+01 -0.114518D+02
      2   0.211457D+01 -0.100876D+02  0.190673D+00  0.225671D+01  0.481865D+01
      3   0.113523D+01 -0.663817D+01  0.489809D+00  0.195359D+01  0.663316D+01
      4  -0.350816D+01 -0.112492D+01 -0.106711D+01 -0.129455D+01  0.123647D+01
      5  -0.128775D+01 -0.586962D+01 -0.880760D+01  0.496603D+00 -0.289590D+01
      6   0.274661D+01 -0.472754D-01  0.220582D+01  0.105599D+01  0.214442D+01
               211           212           213           214           215 
      1  -0.162520D+02  0.727081D+00 -0.752263D+00 -0.299642D+02  0.572820D+00
      2   0.707073D+01  0.577314D+01  0.166607D+01  0.165335D+02  0.460495D+00
      3   0.918130D+01 -0.650022D+01 -0.913810D+00  0.134306D+02 -0.103331D+01
      4   0.261698D+02 -0.408367D+02 -0.274782D+02  0.192772D+02 -0.291282D+02
      5   0.157809D+02 -0.277700D+02 -0.354869D+02  0.296066D+02 -0.339828D+02
      6  -0.717385D+01  0.133720D+02  0.139811D+02 -0.964820D+01  0.143517D+02
               216           217           218           219           220 
      1  -0.768493D-01  0.172895D+02 -0.445783D+01  0.122873D+02 -0.147899D+02
      2  -0.597647D+01 -0.904544D+01  0.177086D+01 -0.555813D+01  0.565289D+01
      3   0.605332D+01 -0.824407D+01  0.268697D+01 -0.672919D+01  0.913698D+01
      4  -0.319828D+02 -0.501919D+01  0.286387D+01 -0.681262D+01  0.247767D+02
      5  -0.461343D+02  0.144075D+02 -0.633901D+01  0.443200D+01 -0.174785D+02
      6   0.154284D+02 -0.346281D+01  0.121735D+01  0.182846D+00  0.476545D+01
               221           222           223           224           225 
      1   0.752874D+01 -0.784201D+01  0.445407D+02 -0.112790D+02  0.112122D+02
      2   0.789530D+00  0.139401D+01 -0.242847D+02  0.384353D+01 -0.102262D+02
      3  -0.831827D+01  0.644800D+01 -0.202560D+02  0.743550D+01 -0.986070D+00
      4  -0.285174D+02  0.192565D+02 -0.251784D+02  0.252718D+02 -0.292498D+02
      5   0.203154D+02 -0.312470D+02  0.386698D+02 -0.320366D+02  0.607906D+02
      6  -0.654897D+01  0.102259D+02 -0.956712D+01  0.107086D+02 -0.130702D+02
               226           227           228           229           230 
      1  -0.808708D+00 -0.345909D+01 -0.184829D+02 -0.629729D+01 -0.105609D+02
      2  -0.324361D+01 -0.619191D+00 -0.126087D+01  0.426419D+01  0.953996D+00
      3   0.405231D+01  0.407828D+01  0.197438D+02  0.203309D+01  0.960693D+01
      4  -0.179299D+01 -0.376570D+01 -0.281411D+01 -0.171795D+01 -0.722687D+01
      5  -0.473985D+01 -0.547474D+00 -0.756363D+01  0.589238D+01 -0.735132D+01
      6   0.160739D+01  0.354843D+01  0.155055D+01  0.944750D+00  0.655140D+01
               231           232           233           234           235 
      1  -0.135034D+02 -0.115925D+02 -0.855957D+01 -0.351347D+02 -0.563401D+00
      2  -0.740244D+01  0.508001D+01 -0.388551D+01 -0.188363D+02  0.295611D+01
      3   0.209058D+02  0.651244D+01  0.124451D+02  0.539710D+02 -0.239271D+01
      4  -0.102636D+02 -0.145391D+01 -0.893803D+01 -0.126269D+02  0.315636D+01
      5  -0.223912D+02  0.730974D+01 -0.927636D+01 -0.437310D+02  0.158543D+01
      6   0.937654D+01  0.712879D+00  0.829278D+01  0.761032D+01 -0.217433D+01
               236           237           238           239           240 
      1   0.981083D+01 -0.538278D+01  0.129620D+02 -0.204851D+02  0.419100D+01
      2  -0.761610D+01 -0.567050D+00 -0.800846D+01  0.221605D+02 -0.287576D+00
      3  -0.219473D+01  0.594983D+01 -0.495356D+01 -0.167537D+01 -0.390342D+01
      4  -0.642397D+01  0.164807D+01  0.360687D+01  0.331409D+02 -0.719636D+01
      5  -0.765444D+00 -0.533561D+01 -0.864781D+01 -0.308217D+01  0.917935D+01
      6   0.596539D+01 -0.277119D+01  0.482238D+00 -0.215613D+02  0.862545D+01
               241           242           243           244           245 
      1   0.735598D+00  0.212185D+01 -0.753891D+01  0.116880D+03  0.107538D+02
      2  -0.208156D+01 -0.880312D+00  0.291132D+01 -0.679385D+02 -0.532895D+01
      3   0.134596D+01 -0.124154D+01  0.462760D+01 -0.489416D+02 -0.542485D+01
      4   0.148051D+01 -0.130681D+01  0.122110D+01  0.254430D+02  0.150729D+02
      5  -0.296196D+01  0.122270D+01  0.150701D+01 -0.665996D+02 -0.806088D+01
      6  -0.108709D+01  0.480639D+01 -0.870063D+00 -0.630601D+01 -0.527316D+01
               246           247           248           249           250 
      1  -0.228793D+02  0.825123D+01  0.765012D+01 -0.262984D+01 -0.785931D+01
      2   0.197219D+02 -0.375126D+01 -0.292346D+01  0.310487D+00  0.922959D+01
      3   0.315738D+01 -0.449998D+01 -0.472667D+01  0.231936D+01 -0.137028D+01
      4  -0.679333D+01  0.159961D+02  0.674384D+01 -0.453214D+01 -0.191161D+01
      5   0.312377D+02 -0.504134D+01 -0.611997D+01  0.130037D+00  0.203051D+02
      6   0.386733D+01 -0.503376D+01 -0.287065D+01  0.300981D+01  0.252032D+01
               251           252           253           254           255 
      1  -0.164485D+01  0.838804D+01  0.724571D+02 -0.225253D+02  0.322423D+02
      2   0.242207D+00 -0.954499D+01 -0.470938D+02  0.129342D+02 -0.242388D+02
      3   0.140264D+01  0.115695D+01 -0.253633D+02  0.959105D+01 -0.800357D+01
      4  -0.191373D+01  0.465911D+00 -0.262484D+02  0.208131D+02 -0.838123D+01
      5   0.104484D+01 -0.119406D+02  0.548319D+02 -0.123979D+02  0.381377D+02
      6   0.179590D+01 -0.318536D+00 -0.773145D+01  0.705957D+01 -0.424278D+01
               256           257           258           259           260 
      1  -0.376275D+02  0.117803D+02 -0.787975D+01  0.435893D+02 -0.562713D+01
      2   0.267264D+02 -0.715314D+01  0.139254D+02 -0.393241D+02  0.106968D+02
      3   0.109011D+02 -0.462711D+01 -0.604567D+01 -0.426520D+01 -0.506964D+01
      4   0.246539D+02 -0.348228D+02  0.218860D+02 -0.149246D+02  0.271939D+02
      5  -0.290848D+02  0.222636D+02 -0.330754D+02  0.642588D+02 -0.251438D+02
      6   0.953957D+01 -0.138620D+02  0.135168D+02 -0.530399D+01  0.156661D+02
               261           262           263           264           265 
      1   0.131593D+02  0.309929D+01  0.137434D+02  0.221401D+01  0.119650D+02
      2  -0.392634D+02  0.174454D+01 -0.649600D+01 -0.826737D+00 -0.185273D+01
      3   0.261041D+02 -0.484383D+01 -0.724742D+01 -0.138727D+01 -0.101122D+02
      4  -0.242944D+02  0.608034D+01  0.523188D+00 -0.986444D+01  0.126136D+02
      5   0.725889D+02 -0.495213D+01 -0.581928D+01 -0.890596D+01 -0.738326D+01
      6  -0.128383D+02 -0.997996D+00 -0.514290D+01 -0.773227D+01 -0.458269D+01
               266           267           268           269           270 
      1  -0.103268D+02 -0.481156D+01 -0.356972D+01 -0.414517D+01 -0.633961D+01
      2   0.281463D+02  0.418693D+01  0.164929D+01  0.855272D+00  0.582795D+01
      3  -0.178195D+02  0.624625D+00  0.192043D+01  0.328990D+01  0.511658D+00
      4   0.322012D+02 -0.100570D+02 -0.182980D+02 -0.210951D+02 -0.168602D+02
      5  -0.994527D+01 -0.103600D+02 -0.161860D+02 -0.151393D+02 -0.354534D+02
      6   0.455932D+01  0.789276D-02 -0.115223D+02 -0.603456D+01 -0.166414D+02
               271           272           273           274           275 
      1   0.956099D+01  0.698950D+01  0.764475D+01  0.365664D+01 -0.242100D+01
      2  -0.482763D+01 -0.312278D+01 -0.472988D+01  0.458181D+00  0.556427D+01
      3  -0.473335D+01 -0.386671D+01 -0.291487D+01 -0.411482D+01 -0.314327D+01
      4   0.170754D+02  0.148752D+02  0.128959D+02  0.131045D+02  0.214726D+02
      5   0.152883D+02  0.114742D+02  0.160004D+02  0.859714D+01  0.120990D+02
      6   0.854992D+01  0.633749D+01  0.725842D+01  0.622803D+01  0.113763D+02
               276           277           278           279 
      1  -0.146151D+01  0.705065D+01 -0.173276D+01 -0.198173D+01
      2   0.244273D+01 -0.637990D+01  0.270888D-01 -0.654656D+01
      3  -0.981225D+00 -0.670750D+00  0.170567D+01  0.852829D+01
      4   0.130464D+02  0.216185D+02  0.281709D+02  0.291689D+02
      5   0.134004D+02  0.267640D+02  0.264825D+02  0.420124D+02
      6   0.996735D+01  0.138657D+02  0.187326D+02  0.237952D+02
 Leave Link  716 at Thu Sep 23 15:48:31 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.295214D+03 -0.197878D+02 -0.803231D+01
      2  -0.197878D+02  0.183114D+03 -0.502830D+01
      3  -0.803231D+01 -0.502830D+01  0.123310D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116673D+02  0.207322D+02  0.278523D+01
      2  -0.806928D+02 -0.200742D+01 -0.239107D+02
      3   0.105119D+03 -0.445595D+02 -0.520809D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.432973D+03 -0.112606D+03 -0.901563D+02
      2  -0.186918D+03  0.942616D+02  0.794107D+01
      3  -0.246055D+03  0.183444D+02  0.822153D+02
      4  -0.622329D+02  0.912946D+02 -0.495887D+01
      5  -0.869836D+01  0.109706D+01 -0.816812D+02
      6  -0.391338D+01  0.211119D+02 -0.209336D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.384861D+02 -0.768204D+01 -0.123601D+01 -0.378658D+01  0.220545D+01
      2  -0.768204D+01  0.100892D+02 -0.848186D-01  0.220545D+01 -0.142777D+02
      3  -0.123601D+01 -0.848186D-01  0.399611D+01  0.615308D+00  0.154541D+01
                 6             7             8             9            10 
      1   0.615308D+00 -0.186025D+01  0.110355D+01  0.724132D+01  0.537354D+01
      2   0.154541D+01  0.110355D+01  0.176743D+00 -0.146382D+01  0.183720D+01
      3  -0.134108D+00  0.724132D+01 -0.146382D+01 -0.135281D+01 -0.201773D+00
                11            12            13            14            15 
      1   0.183720D+01 -0.201773D+00 -0.146037D+02  0.418128D+01  0.104073D+01
      2   0.106827D+02 -0.155345D+01  0.418128D+01  0.411918D+01 -0.148036D+01
      3  -0.155345D+01  0.273532D+01  0.104073D+01 -0.148036D+01 -0.166854D+01
                16            17            18            19            20 
      1   0.161627D+01 -0.499947D+00  0.401863D+01 -0.366737D+02  0.122380D+02
      2  -0.499947D+00 -0.208470D+01 -0.275434D+01  0.122380D+02 -0.920657D+01
      3   0.401863D+01 -0.275434D+01 -0.281001D+00  0.142329D+01  0.630662D+00
                21            22            23            24            25 
      1   0.142329D+01  0.196659D+02 -0.541319D+01 -0.732071D+00  0.175831D+01
      2   0.630662D+00 -0.541319D+01  0.786176D+01  0.326875D+00 -0.142184D+00
      3  -0.431326D+00 -0.732071D+00  0.326875D+00  0.251507D+01  0.435397D+00
                26            27            28            29            30 
      1  -0.142184D+00  0.435397D+00  0.368525D+02 -0.110278D+02 -0.122861D+01
      2   0.111988D+01  0.464229D+01 -0.110278D+02  0.320130D+01  0.392319D+00
      3   0.464229D+01 -0.126836D+01 -0.122861D+01  0.392319D+00 -0.158272D-01
                31            32            33            34            35 
      1   0.446487D+02 -0.887974D+01 -0.305682D+01 -0.805997D+01  0.221195D+01
      2  -0.887974D+01  0.835311D+01  0.323009D+00  0.221195D+01 -0.969073D+00
      3  -0.305682D+01  0.323009D+00 -0.160926D+00  0.129190D+01  0.925664D+00
                36            37            38            39            40 
      1   0.129190D+01 -0.399486D+02  0.115135D+02  0.132045D+01 -0.415516D+02
      2   0.925664D+00  0.115135D+02 -0.757476D+01 -0.549081D+00  0.775781D+01
      3  -0.261409D+00  0.132045D+01 -0.549081D+00  0.148522D+00  0.276081D+01
                41            42            43            44            45 
      1   0.775781D+01  0.276081D+01  0.818870D+01 -0.200770D+01 -0.143191D+01
      2  -0.600448D+01 -0.186202D+00 -0.200770D+01  0.121301D+01 -0.831791D+00
      3  -0.186202D+00 -0.786943D-02 -0.143191D+01 -0.831791D+00  0.353339D+00
                46            47            48            49            50 
      1  -0.617868D+01 -0.288422D+01  0.958328D+00 -0.140579D+01  0.388279D+01
      2  -0.288422D+01 -0.567620D+01  0.334846D+00  0.388279D+01 -0.320351D+01
      3   0.958328D+00  0.334846D+00 -0.247139D+01 -0.784046D+00 -0.691528D+00
                51            52            53            54            55 
      1  -0.784046D+00  0.780366D+00 -0.563000D+00 -0.662680D+00  0.106403D+02
      2  -0.691528D+00 -0.563000D+00 -0.278853D-01 -0.426660D+01  0.151257D+01
      3  -0.140088D+01 -0.662680D+00 -0.426660D+01  0.148976D+01 -0.169466D+01
                56            57            58            59            60 
      1   0.151257D+01 -0.169466D+01 -0.653417D-01 -0.318795D+01  0.793978D+00
      2   0.104326D+02  0.619918D-01 -0.318795D+01  0.824333D+00  0.780641D+00
      3   0.619918D-01  0.208906D+01  0.793978D+00  0.780641D+00  0.154530D+01
                61            62            63            64            65 
      1  -0.824976D+00  0.790960D+00  0.122673D+01 -0.533344D+01 -0.217116D+01
      2   0.790960D+00  0.482470D-02  0.466690D+01 -0.217116D+01 -0.147209D+02
      3   0.122673D+01  0.466690D+01 -0.149454D+01  0.415589D+00  0.127202D+01
                66            67            68            69            70 
      1   0.415589D+00  0.110899D+02 -0.173458D+01 -0.562573D+00 -0.342100D+01
      2   0.127202D+01 -0.173458D+01 -0.756338D+01  0.132579D+01  0.135856D+00
      3  -0.281869D+01 -0.562573D+00  0.132579D+01  0.131404D+01 -0.559159D+01
                71            72            73            74            75 
      1   0.135856D+00 -0.559159D+01 -0.480033D+02  0.575794D+01  0.182336D+01
      2   0.303888D+01  0.263278D+01  0.575794D+01 -0.497337D+01  0.222197D+00
      3   0.263278D+01  0.807452D+00  0.182336D+01  0.222197D+00 -0.151530D+01
                76            77            78            79            80 
      1   0.821463D+01 -0.251012D+01 -0.112119D+01  0.982252D+00 -0.105553D+01
      2  -0.251012D+01  0.177631D+02 -0.140668D+01 -0.105553D+01 -0.888625D+00
      3  -0.112119D+01 -0.140668D+01 -0.436245D+00 -0.614367D+01  0.832735D+00
                81            82            83            84            85 
      1  -0.614367D+01  0.418239D+02 -0.121259D+02 -0.180650D+01 -0.217988D+02
      2   0.832735D+00 -0.121259D+02  0.113881D+02 -0.635414D+00  0.294072D+01
      3   0.111851D+01 -0.180650D+01 -0.635414D+00  0.842613D-01  0.596740D+00
                86            87            88            89            90 
      1   0.294072D+01  0.596740D+00 -0.395005D+01  0.440709D-01 -0.458948D+00
      2  -0.757148D+01  0.170082D+00  0.440709D-01 -0.104066D+01 -0.346128D+01
      3   0.170082D+00 -0.176257D+01 -0.458948D+00 -0.346128D+01  0.120639D+01
                91            92            93            94            95 
      1   0.773731D+01 -0.161130D+01 -0.104026D+01  0.510022D+01  0.226901D+01
      2  -0.161130D+01  0.197471D+01  0.531909D-01  0.226901D+01 -0.279869D+01
      3  -0.104026D+01  0.531909D-01  0.212201D+01 -0.641308D+00 -0.450618D+00
                96            97            98            99           100 
      1  -0.641308D+00  0.476968D+01  0.423521D+00  0.692798D+01 -0.106296D+02
      2  -0.450618D+00  0.423521D+00  0.312112D-01  0.252293D+01  0.480868D+01
      3   0.348068D+01  0.692798D+01  0.252293D+01 -0.602766D+00  0.210720D+00
               101           102           103           104           105 
      1   0.480868D+01  0.210720D+00 -0.480103D+00  0.295847D+01 -0.393162D+00
      2  -0.453129D+01 -0.265987D-01  0.295847D+01  0.111245D+01 -0.433170D+00
      3  -0.265987D-01 -0.343697D+00 -0.393162D+00 -0.433170D+00 -0.105590D+01
               106           107           108           109           110 
      1   0.103455D+01 -0.699643D+00 -0.654144D-01 -0.270889D+00 -0.473937D+01
      2  -0.699643D+00  0.477590D+00  0.730755D+00 -0.473937D+01  0.194814D+01
      3  -0.654144D-01  0.730755D+00  0.818902D-02  0.382891D+00  0.780345D+00
               111           112           113           114           115 
      1   0.382891D+00 -0.552583D+01 -0.151463D+01  0.105214D+01  0.274768D+00
      2   0.780345D+00 -0.151463D+01  0.153684D+01  0.102867D+01  0.900882D+00
      3  -0.922169D-01  0.105214D+01  0.102867D+01  0.601185D+01 -0.230533D+01
               116           117           118           119           120 
      1   0.900882D+00 -0.230533D+01  0.675687D+01 -0.312295D+01 -0.365122D+00
      2   0.641695D+00  0.466095D+01 -0.312295D+01  0.278873D+01  0.126790D-01
      3   0.466095D+01 -0.113263D+01 -0.365122D+00  0.126790D-01  0.226178D+00
               121           122           123           124           125 
      1  -0.419826D+01  0.461990D+01 -0.189186D+00 -0.458184D+00 -0.209687D+00
      2   0.461990D+01 -0.555052D+01  0.874212D-01 -0.209687D+00  0.262570D+00
      3  -0.189186D+00  0.874212D-01 -0.505693D+00 -0.465896D+00 -0.101123D-02
               126           127           128           129           130 
      1  -0.465896D+00  0.169608D+01  0.277807D+01 -0.385348D+00  0.331202D+01
      2  -0.101123D-02  0.277807D+01  0.222818D+01 -0.447707D+00  0.369379D+01
      3   0.128311D+00 -0.385348D+00 -0.447707D+00  0.445321D+00 -0.568220D+00
               131           132           133           134           135 
      1   0.369379D+01 -0.568220D+00 -0.501894D+00 -0.647554D+00  0.268250D+00
      2   0.771028D+01 -0.101706D+01 -0.647554D+00 -0.104686D+01  0.119650D+00
      3  -0.101706D+01  0.962703D+00  0.268250D+00  0.119650D+00 -0.155235D+00
               136           137           138           139           140 
      1  -0.772702D+00 -0.159110D+01  0.245926D+00 -0.440073D+00 -0.128030D+01
      2  -0.159110D+01 -0.234495D+01  0.399372D+00 -0.128030D+01 -0.917043D+01
      3   0.245926D+00  0.399372D+00 -0.240476D+00  0.125966D+00  0.103502D+01
               141           142           143           144           145 
      1   0.125966D+00  0.163671D+00  0.324388D+00  0.895191D-01  0.112949D+01
      2   0.103502D+01  0.324388D+00  0.123817D+01 -0.129488D+00  0.174017D+01
      3  -0.893282D+00  0.895191D-01 -0.129488D+00  0.987093D-01 -0.268385D+00
               146           147           148           149           150 
      1   0.174017D+01 -0.268385D+00  0.782179D+00  0.179525D+01 -0.161122D+00
      2   0.272812D+01 -0.425112D+00  0.179525D+01  0.104918D+02 -0.109376D+01
      3  -0.425112D+00  0.255178D+00 -0.161122D+00 -0.109376D+01  0.933504D+00
               151           152           153           154           155 
      1   0.216089D+00 -0.450489D+00  0.622300D-01 -0.564117D+01  0.346538D+01
      2  -0.450489D+00 -0.141537D+01  0.112014D+00  0.346538D+01 -0.353586D+01
      3   0.622300D-01  0.112014D+00 -0.743426D-01  0.270671D+00 -0.627397D-01
               156           157           158           159           160 
      1   0.270671D+00  0.377920D+01 -0.466502D+01  0.172511D+00  0.103752D+00
      2  -0.627397D-01 -0.466502D+01  0.625518D+01 -0.792788D-02  0.283945D+00
      3  -0.380841D+00  0.172511D+00 -0.792788D-02  0.668122D+00  0.437625D+00
               161           162           163           164           165 
      1   0.283945D+00  0.437625D+00  0.909621D+00 -0.903395D+00  0.142003D+01
      2  -0.292421D+00  0.202200D+00 -0.903395D+00 -0.387362D+00  0.665962D+00
      3   0.202200D+00 -0.217320D+00  0.142003D+01  0.665962D+00 -0.158876D+00
               166           167           168           169           170 
      1  -0.247093D+01 -0.263088D+01  0.681331D+00  0.191714D+01  0.110438D+01
      2  -0.263088D+01 -0.553043D+01  0.865043D+00  0.110438D+01  0.786291D+00
      3   0.681331D+00  0.865043D+00 -0.854410D+00  0.218298D-01 -0.202446D-01
               171           172           173           174           175 
      1   0.218298D-01 -0.161097D+01  0.225284D+01  0.214387D+00  0.446592D+01
      2  -0.202446D-01  0.225284D+01 -0.168355D+01 -0.241984D+00 -0.236273D+01
      3   0.219692D+00  0.214387D+00 -0.241984D+00 -0.909348D+00 -0.559019D+00
               176           177           178           179           180 
      1  -0.236273D+01 -0.559019D+00 -0.144771D+00 -0.270800D+00 -0.127579D+01
      2   0.496282D+01  0.414792D+00 -0.270800D+00  0.314908D+00  0.548781D+00
      3   0.414792D+00  0.977269D+00 -0.127579D+01  0.548781D+00  0.406277D+00
               181           182           183           184           185 
      1   0.101200D+02  0.135236D+01 -0.160684D+01 -0.188054D+01 -0.203115D+01
      2   0.135236D+01 -0.150659D+01 -0.386728D+00 -0.203115D+01  0.241924D+01
      3  -0.160684D+01 -0.386728D+00 -0.301862D+01  0.810409D+00 -0.251317D+00
               186           187           188           189           190 
      1   0.810409D+00  0.288486D+01  0.459327D+00 -0.421126D+01  0.476592D+01
      2  -0.251317D+00  0.459327D+00  0.202604D+00 -0.330970D+01 -0.958729D+00
      3  -0.505414D+01 -0.421126D+01 -0.330970D+01 -0.425686D+00  0.276643D+01
               191           192           193           194           195 
      1  -0.958729D+00  0.276643D+01 -0.432630D+01 -0.686273D+00 -0.248671D+01
      2  -0.371629D+00 -0.106335D+01 -0.686273D+00 -0.183567D-01  0.302094D+00
      3  -0.106335D+01  0.124305D+01 -0.248671D+01  0.302094D+00 -0.482085D+01
               196           197           198           199           200 
      1   0.433944D+01 -0.163624D+01  0.582861D+00  0.143512D+02  0.188583D+01
      2  -0.163624D+01  0.221669D-02 -0.274629D+01  0.188583D+01  0.980508D+00
      3   0.582861D+00 -0.274629D+01  0.621142D+00 -0.132160D+01 -0.195610D+00
               201           202           203           204           205 
      1  -0.132160D+01  0.557787D+01  0.162349D+01 -0.513764D+00 -0.173004D+01
      2  -0.195610D+00  0.162349D+01  0.134743D+01 -0.287996D+00 -0.228093D+00
      3   0.122531D+01 -0.513764D+00 -0.287996D+00  0.357775D+00  0.169122D+01
               206           207           208           209           210 
      1  -0.228093D+00  0.169122D+01 -0.882086D+00  0.520279D-01 -0.684576D+00
      2  -0.280613D+00 -0.178674D+00  0.520279D-01 -0.581374D+00 -0.128371D+00
      3  -0.178674D+00 -0.414908D+00 -0.684576D+00 -0.128371D+00 -0.583983D+00
               211           212           213           214           215 
      1  -0.181798D+01  0.195087D+01  0.129304D+01 -0.345131D+01  0.156296D+01
      2   0.195087D+01 -0.362035D+01 -0.260613D+01  0.156296D+01 -0.271950D+01
      3   0.129304D+01 -0.260613D+01 -0.310826D+01  0.240149D+01 -0.315599D+01
               216           217           218           219           220 
      1   0.240149D+01  0.812101D+00 -0.158961D+00  0.121368D+01 -0.144024D+01
      2  -0.315599D+01 -0.158961D+00 -0.143879D+00 -0.430472D+00  0.181395D+01
      3  -0.440651D+01  0.121368D+01 -0.430472D+00  0.881518D-01 -0.135823D+01
               221           222           223           224           225 
      1   0.181395D+01 -0.135823D+01  0.488133D+01 -0.197861D+01  0.301209D+01
      2  -0.233360D+01  0.171020D+01 -0.197861D+01  0.216499D+01 -0.274709D+01
      3   0.171020D+01 -0.256678D+01  0.301209D+01 -0.274709D+01  0.521767D+01
               226           227           228           229           230 
      1   0.427359D-01  0.421659D+00  0.994991D+00  0.150749D+01  0.356873D+00
      2   0.421659D+00  0.580933D+00  0.399473D+00  0.356873D+00  0.103905D+01
      3   0.994991D+00  0.399473D+00  0.240853D+01 -0.325010D+00  0.151471D+01
               231           232           233           234           235 
      1  -0.325010D+00  0.129906D+01  0.196770D+00  0.212159D+00  0.512868D+00
      2   0.151471D+01  0.196770D+00  0.130138D+01  0.169122D+01 -0.543389D+00
      3   0.362044D+01  0.212159D+00  0.169122D+01  0.763910D+01 -0.233557D+00
               236           237           238           239           240 
      1  -0.543389D+00 -0.233557D+00 -0.221946D+01  0.451172D-01  0.427900D+00
      2   0.118947D+01 -0.352692D+00  0.451172D-01 -0.511582D+01  0.109478D+01
      3  -0.352692D+00  0.110300D+01  0.427900D+00  0.109478D+01 -0.141590D+01
               241           242           243           244           245 
      1  -0.726150D+00 -0.256935D+00  0.602378D+00 -0.152829D+02 -0.188771D+01
      2  -0.256935D+00  0.331967D+00 -0.336164D+00 -0.188771D+01 -0.102663D+01
      3   0.602378D+00 -0.336164D+00  0.111420D+00  0.395780D+01  0.581029D+00
               246           247           248           249           250 
      1   0.395780D+01 -0.169829D+01 -0.129416D+01  0.289853D+00  0.127391D+01
      2   0.581029D+00 -0.129416D+01 -0.544757D+00  0.463735D+00  0.177465D+00
      3  -0.240824D+01  0.289853D+00  0.463735D+00  0.223671D+00 -0.147169D+01
               251           252           253           254           255 
      1   0.177465D+00 -0.147169D+01 -0.912057D+01  0.268183D+01 -0.447029D+01
      2  -0.219545D-01  0.562450D-01  0.268183D+01 -0.130731D+01  0.892445D+00
      3   0.562450D-01  0.973896D+00 -0.447029D+01  0.892445D+00 -0.284417D+01
               256           257           258           259           260 
      1   0.725685D+01 -0.194175D+01  0.265457D+01 -0.973334D+01  0.124613D+01
      2  -0.194175D+01  0.389880D+01 -0.234040D+01  0.124613D+01 -0.189163D+01
      3   0.265457D+01 -0.234040D+01  0.371922D+01 -0.586912D+01  0.272691D+01
               261           262           263           264           265 
      1  -0.586912D+01 -0.134478D-01 -0.127054D+01  0.449304D+00 -0.474197D+01
      2   0.272691D+01 -0.127054D+01  0.822131D+00  0.101100D+01 -0.660490D+00
      3  -0.753334D+01  0.449304D+00  0.101100D+01  0.164564D+01  0.106270D+01
               266           267           268           269           270 
      1  -0.660490D+00  0.106270D+01  0.917306D+00  0.182324D+01  0.239527D+01
      2  -0.365026D+01  0.831918D+00  0.182324D+01  0.272240D+01  0.168523D+01
      3   0.831918D+00  0.132038D+01  0.239527D+01  0.168523D+01  0.461256D+01
               271           272           273           274           275 
      1  -0.164829D+01 -0.161945D+01 -0.152431D+01 -0.949172D+00 -0.130182D+01
      2  -0.161945D+01 -0.146270D+01 -0.112542D+01 -0.130182D+01 -0.274160D+01
      3  -0.152431D+01 -0.112542D+01 -0.158261D+01 -0.925553D+00 -0.156703D+01
               276           277           278           279 
      1  -0.925553D+00 -0.253951D+01 -0.214297D+01 -0.296556D+01
      2  -0.156703D+01 -0.214297D+01 -0.335203D+01 -0.335476D+01
      3  -0.180367D+01 -0.296556D+01 -0.335476D+01 -0.539156D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.619514D+00  0.515742D+01 -0.266463D+01  0.425284D+01 -0.126713D+01
      2  -0.107762D+02  0.464500D+01  0.245096D+01  0.616397D+01 -0.322338D+01
      3   0.101374D+02  0.157743D+02 -0.190055D+01  0.371787D+02 -0.148358D+01
                 6             7             8             9            10 
      1   0.362115D+01 -0.722473D+00  0.148918D+02 -0.148440D+01  0.426159D-01
      2  -0.514931D+00  0.373464D+01  0.183582D+01 -0.236021D+01 -0.204497D+01
      3  -0.269371D+01 -0.446237D+01 -0.272471D+01  0.465903D+01 -0.211600D+02
                11            12            13            14            15 
      1   0.371770D+01  0.598714D+01 -0.286197D-01  0.237493D-01 -0.204130D+01
      2   0.988663D+00  0.849739D+01  0.147058D+01 -0.262955D+01 -0.453444D+01
      3   0.173082D+01 -0.147126D+00 -0.203985D+02 -0.106076D+02  0.320550D+01
                16            17            18            19            20 
      1   0.121669D+02  0.494329D+01 -0.279314D+01 -0.260393D+01 -0.438808D+01
      2  -0.485024D+01 -0.116903D+02  0.215272D+00  0.838568D+01 -0.609066D+01
      3   0.361257D+01  0.143494D+01  0.318161D+00 -0.395052D+02 -0.281741D+02
                21            22            23            24            25 
      1   0.104444D+01 -0.115592D+01  0.241805D+01 -0.376898D+01 -0.738996D+01
      2   0.277847D+01 -0.655432D+01  0.563076D+01  0.518744D+01 -0.166876D+02
      3   0.502533D+01  0.997526D+01  0.793659D+01 -0.294073D+01  0.439827D+01
                26            27            28            29            30 
      1   0.255443D+01  0.837848D+00  0.111465D+01  0.515996D+01 -0.115764D+01
      2   0.190084D+02 -0.218056D+01 -0.141401D+02  0.905703D+01 -0.458369D+01
      3  -0.132674D+01 -0.103799D+02  0.332427D+02  0.413110D+02 -0.653517D+01
                31            32            33            34            35 
      1   0.453944D+01  0.224700D-01  0.121315D+01 -0.560550D+01  0.699310D+01
      2  -0.684994D+01 -0.187890D+01  0.888694D+00 -0.189183D+02  0.154549D+01
      3   0.705483D+02 -0.325228D+02 -0.252545D+01 -0.812024D+01 -0.185000D+01
                36            37            38            39            40 
      1  -0.416455D-02 -0.193296D+00  0.332591D+01 -0.106397D+01  0.319933D+01
      2   0.162468D+01  0.124592D+02  0.254189D+01 -0.661959D+00  0.116832D+02
      3   0.534007D+00 -0.166929D+02  0.468946D+02 -0.502632D+01  0.212644D+02
                41            42            43            44            45 
      1  -0.384627D+01 -0.290563D+00 -0.419439D+01  0.816538D+01 -0.383562D+00
      2  -0.528413D+01 -0.419518D+00 -0.220724D+02  0.246119D+01  0.162219D+01
      3  -0.303646D+02  0.168089D+01  0.266530D+01 -0.278986D+01  0.894698D+00
                46            47            48            49            50 
      1   0.187440D+01 -0.540082D+01 -0.514755D+01 -0.100276D+01  0.218729D+01
      2   0.619454D-01 -0.476686D+01 -0.640366D+01 -0.142760D+01  0.221730D+01
      3   0.371878D+02 -0.340895D+02  0.345018D+01 -0.716291D+01  0.351265D+02
                51            52            53            54            55 
      1  -0.286915D+01 -0.727906D+01 -0.253077D+01  0.193805D+01  0.189573D+01
      2  -0.215163D+01 -0.226843D+02 -0.330094D+01  0.441295D+01  0.328222D+01
      3  -0.192340D+01  0.155258D+01  0.189718D+01  0.110617D+02  0.354311D+02
                56            57            58            59            60 
      1  -0.179840D+01 -0.556656D+01 -0.283010D+01  0.182723D+01 -0.403240D+01
      2  -0.614519D+01  0.366494D+00 -0.331737D+01  0.434018D+01 -0.360006D+00
      3  -0.347959D+02  0.197710D+01 -0.675424D+01  0.270500D+02 -0.150250D+01
                61            62            63            64            65 
      1  -0.841738D+01 -0.540641D+01  0.396669D+01 -0.364022D-01 -0.190599D+01
      2  -0.170909D+02  0.267809D+00  0.166322D+01 -0.345314D+01  0.167440D+01
      3  -0.124178D+00  0.182678D+01  0.503874D+01 -0.190167D+02  0.575957D+01
                66            67            68            69            70 
      1   0.719197D+01  0.327437D+01 -0.199711D+01 -0.732822D+00  0.150830D+02
      2   0.343335D+01 -0.704658D+01 -0.557449D+00 -0.244262D+01 -0.408903D+01
      3  -0.174426D+01  0.984280D+01 -0.564517D+00 -0.170466D+01 -0.249412D+01
                71            72            73            74            75 
      1   0.567692D+01 -0.297445D+01 -0.608883D+01  0.191096D+01 -0.107769D+00
      2  -0.890866D+01  0.201624D+01  0.158241D+02 -0.157881D+01 -0.471897D+00
      3  -0.901046D+00 -0.634685D+01 -0.414583D+02  0.129638D+02  0.609862D+00
                76            77            78            79            80 
      1   0.152606D+01  0.534728D+01  0.219980D+00  0.271194D+01  0.140482D+02
      2   0.369540D+00 -0.801634D-01  0.195895D+01 -0.988498D+01  0.213918D+01
      3   0.336764D+02 -0.114732D+02  0.108411D+01 -0.181042D+01 -0.149966D+01
                81            82            83            84            85 
      1  -0.248458D+01 -0.768731D+00 -0.126123D+01  0.783574D+00 -0.145208D+01
      2   0.180428D+01 -0.183045D+02  0.647221D+00  0.346216D+00  0.831755D+01
      3  -0.444239D+01  0.178889D+02 -0.414413D+02  0.525288D+01 -0.122335D+02
                86            87            88            89            90 
      1  -0.103794D+01 -0.117042D+01 -0.520052D+01  0.353987D+01 -0.887278D+00
      2   0.395710D+00  0.206429D+01 -0.180084D+02  0.953111D+01 -0.545902D+00
      3   0.595021D+01 -0.792661D+00  0.108732D+01  0.256888D+01 -0.207023D+01
                91            92            93            94            95 
      1   0.339297D+01  0.210325D+01  0.516054D+00  0.498893D+01 -0.126663D+01
      2  -0.429008D+01  0.685722D+00 -0.205918D+01 -0.462542D+01 -0.514615D+00
      3   0.109890D+02  0.237881D+01  0.629348D+00  0.289191D+02 -0.155164D+02
                96            97            98            99           100 
      1  -0.519716D+01  0.351668D+01  0.186226D+01  0.160866D+01  0.105305D+01
      2  -0.101574D+02 -0.371813D+02 -0.887328D+01 -0.223634D+01  0.422274D+01
      3  -0.219046D+01  0.873862D+01 -0.128511D+01  0.163855D+02 -0.399624D+01
               101           102           103           104           105 
      1  -0.494452D+01  0.313670D+01  0.675220D-01 -0.123544D+01 -0.503702D+01
      2  -0.370984D+01  0.130264D+02 -0.136357D+01 -0.191303D+01 -0.635187D+01
      3  -0.397344D+02  0.231743D+01 -0.248420D+01 -0.789114D+01  0.169110D+01
               106           107           108           109           110 
      1   0.121224D+01 -0.152205D+01  0.152048D+00  0.158057D+01  0.175702D+01
      2  -0.675227D+01  0.280307D+01 -0.552977D+00  0.175955D+01  0.468599D+01
      3   0.734475D+00  0.449984D+01 -0.339425D+01  0.379749D+02  0.475454D+01
               111           112           113           114           115 
      1  -0.125128D+01  0.126777D+01 -0.651551D+00  0.650338D+01 -0.111610D+02
      2  -0.162041D+01  0.591590D+01  0.487535D+01  0.383418D+02 -0.170607D+02
      3  -0.707469D+01  0.200196D+02 -0.258338D+02 -0.686408D+01 -0.647034D+01
               116           117           118           119           120 
      1   0.853223D+01 -0.241279D+01 -0.152703D+01  0.470452D+00  0.164995D+01
      2   0.296890D+02 -0.748312D+01 -0.246972D+01  0.578803D+00  0.149899D+01
      3  -0.510296D+01 -0.298130D+02 -0.631703D+01 -0.441806D+01  0.872553D+00
               121           122           123           124           125 
      1  -0.731773D-01 -0.190097D+00 -0.284690D+01 -0.245748D+01  0.124263D+01
      2  -0.177797D-01 -0.224975D+00 -0.282438D+01 -0.275181D+01  0.247317D+00
      3  -0.586406D+01  0.128458D+02 -0.107710D+00  0.200470D+01 -0.863024D+00
               126           127           128           129           130 
      1   0.339259D+00  0.128711D+00  0.203005D+00 -0.143753D+01  0.295863D+00
      2   0.614194D+00 -0.894217D+00 -0.103376D+01  0.192726D+01 -0.105188D+01
      3   0.794154D+00 -0.416869D+01 -0.393871D+01  0.782292D+00 -0.231818D+01
               131           132           133           134           135 
      1  -0.178942D+00 -0.376485D+01  0.378150D-03  0.186646D+01  0.419387D+00
      2  -0.269232D+01  0.356936D+01 -0.187260D+01 -0.178276D+00 -0.310119D+00
      3  -0.187487D+02  0.213000D+01  0.980026D+00  0.230842D+01  0.412554D+00
               136           137           138           139           140 
      1   0.343113D+00  0.130530D+00 -0.140784D+01 -0.464015D-01 -0.485930D+00
      2   0.941751D+00  0.953805D+00  0.200595D+00  0.611351D+00  0.190630D+01
      3   0.789659D+01  0.560148D+01 -0.130174D+01  0.629366D+01  0.185177D+02
               141           142           143           144           145 
      1  -0.424611D+01  0.636362D+00  0.296096D+01  0.139992D+00  0.100157D+01
      2  -0.384986D+00 -0.275806D+00  0.725666D-01 -0.201755D+00  0.398656D+00
      3  -0.220816D+01 -0.164068D+01 -0.287057D+01 -0.426041D+00  0.560343D+01
               146           147           148           149           150 
      1   0.109036D+01 -0.170506D+01  0.724725D+00  0.277085D+01 -0.523426D+01
      2   0.501764D-02  0.881545D+00  0.266990D+00 -0.132771D+00  0.119747D+01
      3   0.287834D+01 -0.867275D+00  0.546744D+01  0.392819D+01 -0.643900D+00
               151           152           153           154           155 
      1   0.130129D+01  0.227731D+01  0.223885D+00  0.111948D+00 -0.452341D+00
      2  -0.127863D+01  0.101781D+01 -0.537084D+00 -0.452215D-01 -0.200180D+00
      3  -0.792366D+00 -0.121502D+01 -0.790849D+00 -0.101147D+02  0.128993D+01
               156           157           158           159           160 
      1   0.246203D+01 -0.171138D+01  0.157276D+01 -0.345355D+01 -0.270348D+01
      2   0.186562D+01 -0.785162D+00  0.536739D+00 -0.260942D+01 -0.231170D+01
      3   0.443956D+00  0.365562D+01  0.749025D+00  0.266707D+00  0.129782D+01
               161           162           163           164           165 
      1   0.997680D+00  0.673590D+00  0.242975D+01  0.118213D+01 -0.653619D+00
      2   0.213626D-02  0.354007D+00 -0.130183D+01 -0.254147D+00 -0.269298D+00
      3   0.196921D+00  0.954516D+00 -0.308453D+01 -0.108254D+01 -0.172618D+01
               166           167           168           169           170 
      1  -0.141433D+00 -0.183055D+01 -0.310881D+01 -0.564705D-01  0.265424D+01
      2   0.766224D+00 -0.195339D+00  0.143658D+01 -0.261591D+01 -0.134116D+01
      3   0.383979D+01 -0.501148D+01  0.403426D-01 -0.428814D+01 -0.556666D+00
               171           172           173           174           175 
      1   0.672472D+00  0.113278D+01 -0.788774D+00  0.968558D+00 -0.384383D+00
      2   0.318942D+00 -0.331371D-01 -0.439213D+00  0.391787D+01 -0.160871D-01
      3   0.358391D-01  0.826412D+01 -0.692946D+01 -0.895128D+00 -0.224660D+01
               176           177           178           179           180 
      1   0.286013D+01 -0.234692D+01  0.163935D+00  0.142187D+01  0.325623D+00
      2   0.292134D+00 -0.363125D+01  0.260641D+01 -0.130204D+01 -0.786949D+00
      3   0.182219D+02  0.607030D+00 -0.166503D+01  0.126266D+01  0.979435D+00
               181           182           183           184           185 
      1   0.232168D+01 -0.575844D+01 -0.190714D+01 -0.364018D+01  0.695152D+01
      2  -0.134202D+02 -0.222840D+01  0.177207D+02 -0.412367D+01  0.547153D+01
      3  -0.183902D+01 -0.127651D+02  0.212624D+01 -0.122481D+02  0.144273D+02
               186           187           188           189           190 
      1  -0.502315D+01  0.993024D+00 -0.265338D+00 -0.962937D+01 -0.429815D+00
      2   0.174021D+02  0.136562D+02  0.114576D+02  0.866725D+01  0.938933D+01
      3   0.147113D+01  0.703223D+01  0.217234D+00 -0.135615D+02 -0.885205D+01
               191           192           193           194           195 
      1  -0.721570D+01 -0.353983D+01 -0.835779D+01  0.143549D+01 -0.134650D+01
      2   0.550488D+01  0.473673D+01  0.183099D+02 -0.745920D-01  0.175426D+02
      3  -0.728421D+01 -0.676070D+01 -0.416449D+01  0.452276D+00  0.438896D+01
               196           197           198           199           200 
      1   0.135808D+01 -0.103653D+01  0.917495D+00 -0.152588D+01 -0.852463D+00
      2  -0.532190D+01  0.940881D+01 -0.133468D+02 -0.408338D+01 -0.812097D+00
      3  -0.635776D+01  0.167158D+02 -0.119465D+02 -0.213372D+02 -0.111806D+02
               201           202           203           204           205 
      1   0.414340D+00 -0.774166D+00 -0.687283D+00 -0.663123D+00  0.153767D+01
      2   0.953584D+01 -0.168847D+01 -0.125416D+01  0.250472D+01  0.802821D+01
      3   0.232512D+01 -0.121125D+02 -0.936255D+01  0.206771D+01  0.262449D+01
               206           207           208           209           210 
      1   0.294502D+00 -0.619926D-01  0.486821D+00  0.726349D-01 -0.120200D+01
      2  -0.108967D+01 -0.219191D+01 -0.549554D+01 -0.102710D+01 -0.278198D+01
      3   0.231557D+01  0.519309D+00  0.212152D+01  0.269246D+01  0.166651D+01
               211           212           213           214           215 
      1   0.594426D+00  0.205873D+00 -0.370194D+01  0.212235D+01  0.312935D+00
      2   0.473227D+01 -0.135942D+02 -0.179267D+02  0.924583D+01 -0.179998D+02
      3  -0.860659D+01  0.258318D+02  0.151308D+02 -0.599224D+01  0.178114D+02
               216           217           218           219           220 
      1  -0.433435D+01  0.370776D+00 -0.226795D+00 -0.740819D-01 -0.160215D+01
      2  -0.241047D+02  0.808315D+01 -0.260893D+01  0.123720D+01 -0.685324D+01
      3   0.189342D+02  0.117591D+01 -0.508544D+00  0.170981D+01 -0.898730D+01
               221           222           223           224           225 
      1   0.185712D+01 -0.419614D+01  0.413539D+01 -0.938014D+00  0.700399D+01
      2   0.998166D+01 -0.157923D+02  0.139114D+02 -0.169153D+02  0.310625D+02
      3   0.177571D+02 -0.102003D+02  0.800136D+01 -0.150503D+02  0.167598D+02
               226           227           228           229           230 
      1   0.127649D+01  0.271139D+01  0.125063D+01  0.174511D+01  0.371318D+01
      2  -0.557250D+01 -0.220974D+01 -0.962411D+01 -0.242982D+01 -0.618982D+01
      3   0.147649D+01  0.212607D+01  0.156454D+00  0.309509D+01  0.324241D+01
               231           232           233           234           235 
      1   0.298951D+01  0.741438D+00  0.599030D+01  0.670024D+01 -0.291208D+01
      2  -0.124608D+02 -0.586706D+01 -0.712754D+01 -0.278262D+02 -0.157136D+01
      3   0.410825D+01 -0.382673D-01  0.387740D+01  0.429149D+01 -0.691652D+01
               236           237           238           239           240 
      1   0.302017D+01  0.119256D+01  0.152953D+01 -0.114704D+02 -0.149020D+01
      2   0.264127D+01 -0.280376D+01  0.269232D+01 -0.578241D+01  0.406200D+01
      3   0.584882D+01 -0.686180D+00  0.505575D+01 -0.211889D+02  0.369322D+01
               241           242           243           244           245 
      1   0.462962D+00  0.940066D+00 -0.144510D+01 -0.184343D+01 -0.286635D+01
      2  -0.173572D+01  0.121636D+01 -0.148427D+01  0.113524D+02  0.367543D+00
      3   0.860985D+00  0.810213D+00 -0.220880D+01 -0.205765D+01 -0.740026D+01
               246           247           248           249           250 
      1  -0.393102D+00 -0.211040D+01 -0.160732D+01 -0.343424D-01 -0.396503D+00
      2   0.645356D+01  0.153921D+01 -0.110457D+00 -0.100355D+01  0.194127D+01
      3   0.165439D+01 -0.325038D+01 -0.334748D+01  0.141134D+01 -0.986472D+00
               251           252           253           254           255 
      1   0.957395D+00  0.794509D+00 -0.394047D+01  0.526527D+01  0.239746D+01
      2  -0.614670D+00 -0.167765D+01  0.834549D+01 -0.250698D+01  0.110929D+02
      3   0.127291D+01  0.731605D+00  0.916089D+01 -0.952959D+01  0.420672D+01
               256           257           258           259           260 
      1   0.440339D+01 -0.601770D+01 -0.114133D+01 -0.142237D+01  0.922360D+01
      2  -0.139039D+02  0.746753D+01 -0.142835D+02  0.188862D+02 -0.969966D+01
      3  -0.187213D+01  0.183205D+02 -0.938681D+01 -0.349826D+01 -0.172851D+02
               261           262           263           264           265 
      1  -0.862526D+00  0.256204D+01  0.370837D+00  0.187994D+01 -0.215681D+01
      2   0.330355D+02 -0.444072D+01 -0.554407D+01 -0.399907D+01 -0.287189D+01
      3   0.901262D+01  0.135467D+01  0.417612D+01  0.472183D+01  0.209585D+01
               266           267           268           269           270 
      1   0.389034D+01 -0.582562D+01  0.919082D+00  0.124335D+01  0.662370D+01
      2  -0.202184D+01 -0.427528D+01 -0.813365D+01 -0.526632D+01 -0.148358D+02
      3  -0.176436D+02  0.347940D+01  0.862388D+01  0.822553D+01  0.428162D+01
               271           272           273           274           275 
      1  -0.630256D+00  0.210895D+00 -0.159575D+01 -0.925136D+00 -0.797817D+00
      2   0.381424D+01  0.366348D+01  0.496862D+01  0.208769D+01  0.523888D+01
      3  -0.349643D+01 -0.447739D+01 -0.274812D+01 -0.260746D+01 -0.869215D+01
               276           277           278           279 
      1  -0.264130D+01 -0.194855D+01 -0.322581D+00 -0.609429D+01
      2   0.596844D+01  0.781845D+01  0.114991D+02  0.192685D+02
      3  -0.478933D+01 -0.547375D+01 -0.119210D+02 -0.112187D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.132003D+03 -0.396159D+02 -0.450793D+01  0.997357D+01 -0.307608D+02
      2  -0.738152D+02  0.254780D+02  0.119127D+01 -0.129125D+02  0.320157D+02
      3  -0.581879D+02  0.141379D+02  0.331665D+01  0.293892D+01 -0.125483D+01
      4  -0.169606D+02  0.321118D+02 -0.133800D+01 -0.317444D+02 -0.645058D+02
      5   0.983882D+00 -0.736840D+00  0.662878D+01  0.789106D+01  0.571491D+01
      6  -0.432461D-01  0.144129D+01  0.489648D+01  0.559016D+01 -0.370457D+01
                 6             7             8             9            10 
      1   0.429840D+01 -0.225536D+01  0.801321D+01  0.265496D+02  0.199290D+01
      2  -0.536919D+01  0.346439D+01 -0.682892D+01 -0.243148D+02 -0.119211D+01
      3   0.107079D+01 -0.120903D+01 -0.118429D+01 -0.223480D+01 -0.800793D+00
      4   0.906314D+01  0.996306D+01  0.231017D+01 -0.410962D+01  0.323695D+02
      5  -0.158672D+01  0.526862D+02 -0.101112D+02 -0.422754D+01  0.425042D+01
      6  -0.550237D+01 -0.266569D+00  0.449921D+01  0.168228D+01 -0.579426D+01
                11            12            13            14            15 
      1   0.627650D+02 -0.448834D+01 -0.800602D+02  0.364025D+02  0.175704D+01
      2  -0.426249D+02  0.543519D+00  0.549994D+02 -0.296030D+02 -0.111690D+01
      3  -0.201402D+02  0.394482D+01  0.250609D+02 -0.679957D+01 -0.640135D+00
      4   0.412307D+02 -0.850377D+01  0.357974D+02  0.288188D+02 -0.879480D+01
      5  -0.983817D+01  0.181724D+02  0.365543D+01 -0.698471D+01 -0.107568D+02
      6   0.315495D+01 -0.124119D+02 -0.619798D+01  0.295429D+01  0.549207D+01
                16            17            18            19            20 
      1   0.119449D+02 -0.126647D+02  0.134840D+01 -0.109511D+03  0.148782D+02
      2  -0.109289D+02  0.980603D+01 -0.727722D+01  0.503200D+02 -0.606799D+01
      3  -0.101601D+01  0.285871D+01  0.592882D+01  0.591913D+02 -0.881016D+01
      4  -0.748221D+01 -0.937577D+01 -0.158365D+02  0.184465D+02 -0.360072D+02
      5   0.277427D+02 -0.172492D+02  0.250744D+01  0.713436D+01  0.668187D+01
      6  -0.165406D+02  0.110863D+02  0.287862D+01  0.538349D+01  0.101065D+01
                21            22            23            24            25 
      1   0.616342D+01  0.892136D+02 -0.140524D+02 -0.663552D+01  0.150584D+01
      2  -0.304993D+01 -0.573502D+02 -0.402658D+01  0.626255D+01  0.148174D+01
      3  -0.311350D+01 -0.318634D+02  0.180790D+02  0.372973D+00 -0.298758D+01
      4   0.584615D+01 -0.959641D+01  0.268555D+02  0.250903D+01  0.309231D+01
      5   0.309596D+01 -0.321014D+01  0.369064D+01  0.118118D+02  0.547150D+01
      6  -0.299073D+00  0.204474D+01  0.583507D+01  0.645765D+01  0.410463D+01
                26            27            28            29            30 
      1   0.231962D+01 -0.175234D+02  0.900513D+02 -0.598466D+01 -0.851191D+01
      2   0.309257D+01  0.998188D+00 -0.392445D+02  0.231296D+01  0.281296D+01
      3  -0.541219D+01  0.165252D+02 -0.508068D+02  0.367170D+01  0.569895D+01
      4   0.863799D+01  0.265499D+02 -0.187507D+02  0.509153D+01  0.413404D+00
      5   0.275776D+02 -0.395688D+01 -0.557342D+01 -0.172029D+01 -0.826636D+01
      6   0.160065D+02 -0.175062D+01 -0.368335D+01  0.150674D+01  0.132993D+01
                31            32            33            34            35 
      1   0.931870D+02 -0.338308D+02 -0.569262D+01 -0.190649D+02  0.328089D+01
      2  -0.444385D+02  0.289523D+02  0.924156D+00  0.867229D+01 -0.267604D+01
      3  -0.487486D+02  0.487856D+01  0.476846D+01  0.103926D+02 -0.604851D+00
      4  -0.182502D+02  0.133620D+02 -0.232436D+00  0.387126D+01 -0.523992D+00
      5   0.426278D+01 -0.258526D+01  0.250509D+00  0.947473D-01  0.294592D+01
      6  -0.302145D+01  0.609522D+00 -0.251211D+01  0.423104D+01  0.451050D+01
                36            37            38            39            40 
      1  -0.711435D+01 -0.884299D+02  0.520446D+02  0.214333D+00 -0.883572D+02
      2  -0.161878D+01  0.482606D+02 -0.333577D+02 -0.110638D+01  0.476286D+02
      3   0.873313D+01  0.401693D+02 -0.186869D+02  0.892047D+00  0.407285D+02
      4   0.290306D+01  0.556904D+02 -0.426814D+01 -0.311823D+01 -0.709665D+01
      5   0.232875D+01 -0.519714D+00 -0.146853D+01  0.377618D+00 -0.116105D+01
      6   0.873281D+00 -0.164658D+01 -0.799896D+00  0.157290D+01  0.448344D+01
                41            42            43            44            45 
      1   0.915442D+00  0.679041D+01  0.147220D+02 -0.658354D+01 -0.119449D+02
      2   0.307360D+01 -0.487915D+01 -0.740548D+01  0.386222D+01 -0.538330D+00
      3  -0.398905D+01 -0.191126D+01 -0.731652D+01  0.272132D+01  0.124832D+02
      4  -0.399509D+01  0.150956D+01 -0.491867D+01  0.105072D+01  0.122329D+01
      5   0.286108D+01  0.694384D-01 -0.427194D+00 -0.122537D+01  0.151488D+01
      6  -0.276731D+01 -0.288678D+00  0.217008D+01  0.336091D+01 -0.986842D-01
                46            47            48            49            50 
      1  -0.150726D+01 -0.581729D+02  0.248520D+01  0.240886D+01  0.231502D+02
      2  -0.308814D+01  0.379991D+02  0.213226D-01 -0.574016D+01 -0.229526D+02
      3   0.459540D+01  0.201738D+02 -0.250652D+01  0.333130D+01 -0.197585D+00
      4  -0.397820D+02 -0.338050D+02  0.546293D+01  0.333325D+02 -0.179457D+02
      5  -0.223280D+01  0.620276D+01 -0.141620D+02 -0.202644D+01 -0.173882D+00
      6   0.545971D+01  0.205240D+01  0.101145D+02  0.834258D-01  0.567282D+01
                51            52            53            54            55 
      1  -0.515362D+01 -0.246650D+01 -0.178877D+00 -0.227650D+02  0.181692D+02
      2   0.551909D+01  0.270101D+01  0.526870D+01  0.701124D+01 -0.134469D+02
      3  -0.365475D+00 -0.234513D+00 -0.508982D+01  0.157538D+02 -0.472228D+01
      4  -0.138226D+01 -0.557142D+00  0.472954D+01 -0.120069D+02  0.748087D+01
      5  -0.230827D+01  0.979807D-01 -0.137501D+02  0.755353D+01  0.719175D+01
      6   0.674635D+01  0.894852D+00  0.206211D+02 -0.453647D+01  0.125506D+01
                56            57            58            59            60 
      1  -0.554788D+02 -0.990334D+00  0.146643D+02 -0.395517D+00 -0.390434D+01
      2   0.477296D+02  0.538882D+00 -0.144818D+02 -0.999511D+01  0.506521D+01
      3   0.774922D+01  0.451453D+00 -0.182485D+00  0.103906D+02 -0.116087D+01
      4  -0.771589D+01  0.735650D+00  0.222878D+01 -0.110976D+02  0.242798D+01
      5   0.380486D+01 -0.183593D+01 -0.203669D+01  0.215369D+01  0.163886D+01
      6   0.727694D+01  0.113036D+02  0.129121D+01  0.800066D+01  0.943445D+01
                61            62            63            64            65 
      1  -0.593187D+01  0.990484D+00 -0.250176D+02 -0.102770D+02  0.759891D+02
      2   0.549897D+01  0.292366D+01  0.144371D+02  0.319965D+01 -0.648686D+02
      3   0.432897D+00 -0.391414D+01  0.105805D+02  0.707732D+01 -0.111204D+02
      4   0.669499D+00  0.546908D+01  0.603968D+01  0.495307D+01 -0.149406D+02
      5   0.501683D+01  0.508329D+00  0.243596D+01 -0.909014D+00 -0.523645D+01
      6   0.547732D+01  0.270270D+02 -0.392491D+01 -0.321361D+01 -0.147471D+01
                66            67            68            69            70 
      1  -0.461343D+01 -0.245208D+02  0.365705D+02 -0.624682D+01  0.106978D+02
      2   0.350704D+01  0.277454D+02 -0.400742D+02  0.298465D+01 -0.818538D+01
      3   0.110640D+01 -0.322467D+01  0.350369D+01  0.326217D+01 -0.251240D+01
      4   0.141949D+00  0.107621D+02  0.111072D+02 -0.323672D+01 -0.312242D+01
      5   0.821138D+01  0.192893D+01 -0.596637D+01 -0.666135D+01  0.252171D+02
      6  -0.135581D+02 -0.732418D+01  0.110679D+01  0.422429D+01 -0.204782D+02
                71            72            73            74            75 
      1  -0.171878D+02 -0.134719D+02 -0.154546D+01  0.721110D+01  0.157377D+01
      2   0.141904D+02  0.342198D+01 -0.113681D+02 -0.101778D+02  0.245295D+01
      3   0.299734D+01  0.100499D+02  0.129136D+02  0.296669D+01 -0.402672D+01
      4  -0.432460D+00 -0.109540D+02  0.206639D+02  0.982596D+01 -0.207754D+01
      5  -0.752760D+01 -0.763755D+00 -0.696035D+01 -0.129619D+01  0.273587D+01
      6   0.159640D+02  0.644228D+01  0.211688D+01 -0.283877D+01 -0.293463D+01
                76            77            78            79            80 
      1   0.302889D+02 -0.723052D+02  0.435676D+01  0.106215D+02  0.487306D+01
      2  -0.211799D+02  0.714360D+02 -0.579218D+01 -0.189878D+01 -0.647354D+01
      3  -0.910900D+01  0.869190D+00  0.143542D+01 -0.872267D+01  0.160047D+01
      4  -0.413199D+02 -0.939011D+00  0.193499D+01  0.558905D+01 -0.248223D+01
      5   0.524808D+01  0.409383D+01  0.283997D+01  0.291792D+02 -0.252744D+01
      6   0.443508D+01  0.284872D+01 -0.277120D+01 -0.731759D+01  0.465974D+01
                81            82            83            84            85 
      1  -0.282670D+01  0.583925D+02 -0.575937D+02  0.562957D+00  0.837657D+01
      2  -0.805617D+01 -0.334573D+02  0.440943D+02 -0.257014D+01 -0.178852D+02
      3   0.108829D+02 -0.249352D+02  0.134995D+02  0.200719D+01  0.950860D+01
      4   0.383687D+01 -0.491857D+02  0.347338D+01  0.497100D+01  0.246870D+02
      5  -0.405806D+01  0.639027D+01  0.463828D+01 -0.288543D+01 -0.284250D+01
      6   0.324446D+01  0.348075D+01  0.338850D+01  0.693669D+00  0.114998D+01
                86            87            88            89            90 
      1   0.319613D+02 -0.104611D+01 -0.335186D+01  0.692128D+01 -0.794529D+01
      2  -0.359572D+02  0.494126D+01  0.112556D+01  0.334512D+00 -0.623365D+01
      3   0.399583D+01 -0.389515D+01  0.222630D+01 -0.725579D+01  0.141789D+02
      4  -0.484289D+01 -0.538489D+00  0.760192D+01  0.248679D+01  0.408354D+01
      5   0.382267D-01  0.594304D+01  0.380067D+01  0.100633D+02 -0.382836D+00
      6   0.786282D+00  0.360833D+01  0.297946D+01  0.678790D+01 -0.244921D+01
                91            92            93            94            95 
      1   0.182738D+02  0.927031D+01 -0.521413D+01 -0.156419D+01 -0.132868D+02
      2  -0.120654D+02 -0.310622D+01 -0.520573D+01  0.118255D+02  0.256182D+01
      3  -0.620839D+01 -0.616408D+01  0.104199D+02 -0.102613D+02  0.107249D+02
      4  -0.476550D+01 -0.171284D+02 -0.272092D+01 -0.312306D+02  0.305198D+02
      5   0.381645D+01 -0.283999D+01 -0.130241D+02  0.502257D+01  0.521722D+01
      6  -0.420975D+01  0.318944D+01 -0.384351D+01  0.489714D+01 -0.489711D+01
                96            97            98            99           100 
      1  -0.526674D+01 -0.129158D+02 -0.367316D+01 -0.119232D+02  0.374290D+01
      2  -0.663304D+01  0.213856D+01 -0.196265D-02  0.908616D+01 -0.459906D+01
      3   0.118998D+02  0.107772D+02  0.367513D+01  0.283705D+01  0.856159D+00
      4   0.415617D+01 -0.368588D+01  0.123638D+01 -0.260293D+02  0.297796D+02
      5  -0.251255D+02 -0.531899D+02 -0.204969D+02  0.983106D+01 -0.239447D+01
      6  -0.400771D+01 -0.106760D+02 -0.527718D+01  0.337483D+01 -0.217149D+00
               101           102           103           104           105 
      1   0.369163D+02  0.968017D+00  0.942762D+01  0.105176D+02 -0.402367D+01
      2  -0.223054D+02  0.151193D+01 -0.190973D+01 -0.411402D+01  0.288094D+01
      3  -0.146110D+02 -0.247994D+01 -0.751789D+01 -0.640354D+01  0.114273D+01
      4   0.346985D+01 -0.160338D+00  0.343952D+02  0.140657D+02 -0.399553D+01
      5  -0.194807D+00  0.253308D+02 -0.572562D+01 -0.238250D+01 -0.110263D+02
      6  -0.203661D+01 -0.570986D+01 -0.149513D+01  0.122986D+00  0.896520D+01
               106           107           108           109           110 
      1  -0.154661D+00 -0.380129D+01  0.117068D+01 -0.691392D+02 -0.483859D+02
      2   0.145447D+01  0.315952D+01  0.211333D-01  0.421637D+02  0.251938D+02
      3  -0.129981D+01  0.641765D+00 -0.119181D+01  0.269755D+02  0.231921D+02
      4  -0.476160D+01 -0.288555D+00  0.658604D+01 -0.471197D+02  0.105720D+02
      5   0.793586D+01  0.517034D+01 -0.351163D+01  0.107160D+02  0.916404D+01
      6   0.252826D+01  0.368331D+01 -0.139728D+01  0.254439D+01 -0.176889D+01
               111           112           113           114           115 
      1   0.108483D+02 -0.572038D+02  0.607652D+01  0.187335D+02  0.994307D+01
      2  -0.673543D+01  0.277137D+02 -0.370965D+01 -0.887359D+01 -0.482787D+01
      3  -0.411285D+01  0.294901D+02 -0.236688D+01 -0.985987D+01 -0.511519D+01
      4   0.826856D+01 -0.188102D+02  0.233141D+02  0.995260D+01  0.107398D+02
      5  -0.849756D+01  0.141457D+02  0.955683D+01  0.739752D+02 -0.267823D+02
      6   0.144880D+01  0.698344D+00 -0.503134D+01 -0.204326D+02  0.120845D+02
               116           117           118           119           120 
      1   0.143854D+02 -0.611771D+00  0.431775D+02 -0.127813D+02 -0.251721D+01
      2  -0.751047D+01 -0.263755D+01 -0.165111D+02 -0.596818D+00  0.143558D+01
      3  -0.687493D+01  0.324932D+01 -0.266663D+02  0.133781D+02  0.108163D+01
      4   0.591536D+01  0.501228D+02 -0.310477D+02  0.257293D+02  0.279937D+00
      5   0.531667D+02 -0.155905D+02 -0.113229D+01 -0.943921D+00  0.296228D+01
      6  -0.162111D+02 -0.116716D+00  0.605836D+00  0.103417D+00 -0.158907D+01
               121           122           123           124           125 
      1  -0.131333D+02  0.649471D+01 -0.353152D+00 -0.401555D+01  0.402717D+00
      2  -0.601147D+01  0.144063D+02  0.266395D+00  0.313418D+01 -0.107093D+01
      3   0.191448D+02 -0.209011D+02  0.867570D-01  0.881364D+00  0.668215D+00
      4   0.386400D+02 -0.434444D+02  0.730519D+00 -0.852367D+00  0.165940D+01
      5  -0.299394D+01  0.286389D+01 -0.458000D+01 -0.189531D+01 -0.559522D+00
      6   0.143152D+01 -0.131019D+01  0.431860D+01  0.133296D+01  0.101831D+01
               126           127           128           129           130 
      1  -0.117054D+01  0.363051D+01  0.772968D+01 -0.587840D+00  0.537019D+01
      2   0.115035D+01  0.367063D+01  0.171557D+01 -0.263215D-01  0.778513D+01
      3   0.201942D-01 -0.730114D+01 -0.944525D+01  0.614162D+00 -0.131553D+02
      4  -0.116415D+01  0.230551D+02  0.231946D+02 -0.375202D+01  0.309223D+02
      5   0.464867D+00 -0.220831D+01 -0.268288D+01  0.390704D+01 -0.305395D+01
      6  -0.527279D+00 -0.166221D+01 -0.203672D+01  0.227182D+01 -0.262092D+01
               131           132           133           134           135 
      1  -0.109987D+02  0.134573D+01 -0.713434D+00  0.248132D+00 -0.935757D+00
      2   0.284173D+02 -0.230362D+01 -0.555844D+00 -0.254222D+01  0.225744D+01
      3  -0.174186D+02  0.957893D+00  0.126928D+01  0.229409D+01 -0.132168D+01
      4   0.538578D+02 -0.681888D+01 -0.502328D+01 -0.777459D+01  0.199955D+01
      5  -0.431988D+01  0.622576D+01  0.233939D+01  0.394864D+00 -0.124376D+01
      6  -0.556351D+01  0.669365D+01  0.265011D+01  0.256916D+01 -0.172239D+01
               136           137           138           139           140 
      1  -0.654948D+01 -0.152433D+02  0.251254D+01 -0.720122D+01 -0.464316D+02
      2   0.696578D+01  0.148803D+02 -0.177017D+01  0.707479D+01  0.559917D+02
      3  -0.416305D+00  0.363086D+00 -0.742370D+00  0.126428D+00 -0.956014D+01
      4  -0.481479D+00  0.480413D+01 -0.414373D-01  0.253949D+01 -0.129891D+02
      5   0.479582D+00  0.439027D+00  0.107485D+01  0.192824D+00  0.381536D+01
      6  -0.137145D+01 -0.292494D+01  0.201878D+01 -0.100014D+01 -0.913114D+01
               141           142           143           144           145 
      1   0.557693D+01  0.159821D+01  0.664855D+01 -0.151292D+01 -0.562053D+01
      2  -0.501519D+01 -0.130672D+01 -0.703071D+01  0.181715D+01  0.924090D+01
      3  -0.561745D+00 -0.291489D+00  0.382165D+00 -0.304234D+00 -0.362037D+01
      4   0.181704D+01  0.139719D+00  0.124448D+01  0.168839D+01  0.759857D+01
      5  -0.191578D+01  0.162734D+01  0.596176D+00 -0.444064D+00  0.126134D+00
      6   0.739881D+01  0.204709D+00  0.269481D+01 -0.150170D+01 -0.101972D+01
               146           147           148           149           150 
      1  -0.107567D+02  0.197954D+01 -0.784692D+01 -0.517909D+02  0.560407D+01
      2   0.165695D+02 -0.206283D+01  0.110124D+02  0.738519D+02 -0.660167D+01
      3  -0.581279D+01  0.832862D-01 -0.316551D+01 -0.220610D+02  0.997604D+00
      4   0.159217D+02 -0.161237D+01  0.961192D+01  0.209962D+02 -0.182304D+01
      5  -0.108162D+00  0.218028D+01 -0.270332D+00  0.108933D+01  0.110015D+01
      6  -0.222169D+01  0.247153D+01 -0.884254D+00 -0.595236D+01  0.833255D+01
               151           152           153           154           155 
      1   0.111746D+01  0.714768D+01 -0.149050D+01  0.268640D+01  0.497207D+01
      2  -0.177234D+01 -0.931414D+01  0.202617D+01  0.983802D+01 -0.155826D+02
      3   0.654878D+00  0.216646D+01 -0.535675D+00 -0.125244D+02  0.106106D+02
      4  -0.122303D+01 -0.370728D+01  0.169784D+01 -0.282204D+02  0.247281D+02
      5  -0.189797D+00  0.177583D+01 -0.913465D+00 -0.155363D+01  0.449897D+00
      6  -0.630252D+00  0.272198D+01 -0.157951D+01  0.246732D+01 -0.206397D+01
               156           157           158           159           160 
      1   0.790179D-01  0.949242D+01 -0.193969D+02 -0.267929D-01 -0.196309D+01
      2   0.474778D-01 -0.223274D+02  0.363020D+02  0.637264D-02  0.203779D+01
      3  -0.126496D+00  0.128350D+02 -0.169051D+02  0.204203D-01 -0.747004D-01
      4   0.646014D+00  0.282133D+02 -0.342262D+02  0.270411D+00 -0.267807D+00
      5   0.349859D+01 -0.622397D+00  0.314136D+00 -0.355605D+01 -0.318854D+00
      6  -0.316066D+01 -0.924451D+00  0.214240D+01  0.549465D+01  0.200982D+01
               161           162           163           164           165 
      1   0.155680D+01 -0.638143D-02 -0.450463D+01 -0.311781D+01 -0.327148D+01
      2  -0.204090D+01  0.116668D+01  0.291570D+01  0.246392D+01  0.256512D+01
      3   0.484102D+00 -0.116030D+01  0.158893D+01  0.653896D+00  0.706355D+00
      4   0.104385D+01 -0.150081D+01 -0.136613D+01  0.457915D+01 -0.369826D+01
      5  -0.159485D+01  0.580827D+00 -0.970608D+01 -0.447377D+01  0.123721D+01
      6   0.202381D+01 -0.879428D+00 -0.445458D+01 -0.250609D+01  0.284820D+00
               166           167           168           169           170 
      1  -0.486619D+01 -0.168472D+02  0.213589D+01 -0.457380D+01 -0.697978D+00
      2   0.612916D+01  0.196522D+02 -0.954005D+00  0.305376D+01 -0.235788D+00
      3  -0.126298D+01 -0.280504D+01 -0.118188D+01  0.152005D+01  0.933766D+00
      4   0.102902D+02  0.158997D+02 -0.253962D+01 -0.575325D+01 -0.370442D+01
      5  -0.342489D+01 -0.220650D+01  0.305339D+01  0.346341D+00 -0.869955D+00
      6  -0.343336D+01 -0.644080D+01  0.516072D+01  0.922738D+00  0.184568D+01
               171           172           173           174           175 
      1  -0.292500D+01  0.144690D+02 -0.129215D+02 -0.778346D+00 -0.187154D+02
      2   0.253842D+01 -0.223050D+01  0.361719D+01  0.950265D+00  0.543407D+01
      3   0.386580D+00 -0.122385D+02  0.930435D+01 -0.171920D+00  0.132814D+02
      4   0.590608D+00 -0.222089D+02  0.197181D+02  0.254661D+01  0.251466D+02
      5  -0.147556D+01 -0.393673D+01  0.341755D+01  0.847494D+01  0.611822D+01
      6  -0.156040D+01  0.376906D+01 -0.270204D+01 -0.492460D+00 -0.395676D+01
               176           177           178           179           180 
      1   0.582415D+01  0.481760D+00 -0.661655D-01  0.103738D+01  0.289009D+01
      2   0.950262D+01  0.151556D+00  0.112606D+01 -0.115964D+01 -0.158332D+01
      3  -0.153268D+02 -0.633317D+00 -0.105990D+01  0.122255D+00 -0.130677D+01
      4  -0.412187D+02 -0.385853D+01  0.341710D+01 -0.282258D+01 -0.476522D+01
      5  -0.486402D+01 -0.790735D+01  0.110112D+02 -0.424259D+01 -0.353020D+01
      6   0.819871D+01  0.417368D+01 -0.204526D+01  0.584959D+01  0.187950D+01
               181           182           183           184           185 
      1  -0.839034D+02 -0.147200D+02  0.300929D+02 -0.923329D+01  0.225752D+02
      2   0.452697D+02  0.135725D+02 -0.407568D+01  0.379993D+01 -0.162436D+02
      3   0.386337D+02  0.114749D+01 -0.260172D+02  0.543336D+01 -0.633163D+01
      4  -0.164266D+02  0.137951D+02  0.510556D+01  0.192174D+02 -0.168439D+02
      5   0.394504D+02  0.697899D+01  0.138324D+02 -0.217018D+01 -0.572402D+01
      6   0.360568D+01 -0.856362D+01 -0.137323D+00 -0.950440D+01  0.100677D+02
               186           187           188           189           190 
      1   0.169304D+02  0.111023D+02  0.125775D+02  0.228991D+02 -0.202076D+02
      2   0.952098D+01  0.759582D+01  0.481587D+01 -0.177548D+01  0.213769D+02
      3  -0.264514D+02 -0.186981D+02 -0.173934D+02 -0.211236D+02 -0.116931D+01
      4   0.445163D+00 -0.582218D+01  0.325063D+00  0.273375D+02  0.163347D+02
      5   0.326423D+02  0.292862D+02  0.211643D+02 -0.825011D+01 -0.320442D+02
      6   0.274210D+01  0.657054D+01  0.238880D+01 -0.180526D+02  0.521862D+01
               191           192           193           194           195 
      1   0.677740D+01 -0.127659D+02  0.266037D+02  0.338899D+01  0.143502D+02
      2  -0.440313D+01  0.172221D+02 -0.288567D+02 -0.835361D+01 -0.176788D+02
      3  -0.237426D+01 -0.445622D+01  0.225297D+01  0.496463D+01  0.332854D+01
      4  -0.498520D+00  0.874299D+01  0.340443D+01 -0.576435D+01 -0.621288D+00
      5   0.933685D+01 -0.140959D+02  0.255335D+02 -0.278984D+01  0.403768D+02
      6  -0.525217D+01  0.598167D+01  0.217583D+01  0.104991D+01 -0.930388D+00
               196           197           198           199           200 
      1  -0.326831D+02  0.112805D+02 -0.629295D+01  0.190991D+03  0.231901D+02
      2   0.257527D+02 -0.106902D+02  0.176387D+02 -0.101755D+03 -0.131223D+02
      3   0.693037D+01 -0.590328D+00 -0.113458D+02 -0.892361D+02 -0.100677D+02
      4   0.205480D+02 -0.197435D+02  0.269905D+02  0.225280D+02  0.165680D+02
      5  -0.162793D+02  0.251201D+02 -0.206713D+02 -0.204145D+02 -0.264330D+01
      6   0.101964D+02 -0.578282D+01  0.116456D+02 -0.281442D+00 -0.702354D+00
               201           202           203           204           205 
      1  -0.161345D+02  0.650195D+02  0.202515D+02 -0.597020D+01 -0.206727D+02
      2   0.979791D+01 -0.349984D+02 -0.102936D+02  0.375412D+01  0.125767D+02
      3   0.633655D+01 -0.300211D+02 -0.995794D+01  0.221608D+01  0.809602D+01
      4  -0.228085D+01  0.248700D+02  0.170735D+02 -0.366896D+01 -0.277158D+01
      5   0.192504D+02 -0.709573D+01 -0.382147D+01  0.534745D+01  0.246772D+02
      6  -0.509254D+00 -0.111990D+01 -0.641765D+00  0.180130D+01 -0.160924D+00
               206           207           208           209           210 
      1  -0.324981D+01  0.167258D+02 -0.680482D+00 -0.421030D+01 -0.114518D+02
      2   0.211457D+01 -0.100876D+02  0.190673D+00  0.225671D+01  0.481865D+01
      3   0.113523D+01 -0.663817D+01  0.489809D+00  0.195359D+01  0.663316D+01
      4  -0.350816D+01 -0.112492D+01 -0.106711D+01 -0.129455D+01  0.123647D+01
      5  -0.128775D+01 -0.586962D+01 -0.880760D+01  0.496603D+00 -0.289590D+01
      6   0.274661D+01 -0.472754D-01  0.220582D+01  0.105599D+01  0.214442D+01
               211           212           213           214           215 
      1  -0.162520D+02  0.727081D+00 -0.752263D+00 -0.299642D+02  0.572820D+00
      2   0.707073D+01  0.577314D+01  0.166607D+01  0.165335D+02  0.460495D+00
      3   0.918130D+01 -0.650022D+01 -0.913810D+00  0.134306D+02 -0.103331D+01
      4   0.261698D+02 -0.408367D+02 -0.274782D+02  0.192772D+02 -0.291282D+02
      5   0.157809D+02 -0.277700D+02 -0.354869D+02  0.296066D+02 -0.339828D+02
      6  -0.717385D+01  0.133720D+02  0.139811D+02 -0.964820D+01  0.143517D+02
               216           217           218           219           220 
      1  -0.768493D-01  0.172895D+02 -0.445783D+01  0.122873D+02 -0.147899D+02
      2  -0.597647D+01 -0.904544D+01  0.177086D+01 -0.555813D+01  0.565289D+01
      3   0.605332D+01 -0.824407D+01  0.268697D+01 -0.672919D+01  0.913698D+01
      4  -0.319828D+02 -0.501919D+01  0.286387D+01 -0.681262D+01  0.247767D+02
      5  -0.461343D+02  0.144075D+02 -0.633901D+01  0.443200D+01 -0.174785D+02
      6   0.154284D+02 -0.346281D+01  0.121735D+01  0.182846D+00  0.476545D+01
               221           222           223           224           225 
      1   0.752874D+01 -0.784201D+01  0.445407D+02 -0.112790D+02  0.112122D+02
      2   0.789530D+00  0.139401D+01 -0.242847D+02  0.384353D+01 -0.102262D+02
      3  -0.831827D+01  0.644800D+01 -0.202560D+02  0.743550D+01 -0.986070D+00
      4  -0.285174D+02  0.192565D+02 -0.251784D+02  0.252718D+02 -0.292498D+02
      5   0.203154D+02 -0.312470D+02  0.386698D+02 -0.320366D+02  0.607906D+02
      6  -0.654897D+01  0.102259D+02 -0.956712D+01  0.107086D+02 -0.130702D+02
               226           227           228           229           230 
      1  -0.808708D+00 -0.345909D+01 -0.184829D+02 -0.629729D+01 -0.105609D+02
      2  -0.324361D+01 -0.619191D+00 -0.126087D+01  0.426419D+01  0.953996D+00
      3   0.405231D+01  0.407828D+01  0.197438D+02  0.203309D+01  0.960693D+01
      4  -0.179299D+01 -0.376570D+01 -0.281411D+01 -0.171795D+01 -0.722687D+01
      5  -0.473985D+01 -0.547474D+00 -0.756363D+01  0.589238D+01 -0.735132D+01
      6   0.160739D+01  0.354843D+01  0.155055D+01  0.944750D+00  0.655140D+01
               231           232           233           234           235 
      1  -0.135034D+02 -0.115925D+02 -0.855957D+01 -0.351347D+02 -0.563401D+00
      2  -0.740244D+01  0.508001D+01 -0.388551D+01 -0.188363D+02  0.295611D+01
      3   0.209058D+02  0.651244D+01  0.124451D+02  0.539710D+02 -0.239271D+01
      4  -0.102636D+02 -0.145391D+01 -0.893803D+01 -0.126269D+02  0.315636D+01
      5  -0.223912D+02  0.730974D+01 -0.927636D+01 -0.437310D+02  0.158543D+01
      6   0.937654D+01  0.712879D+00  0.829278D+01  0.761032D+01 -0.217433D+01
               236           237           238           239           240 
      1   0.981083D+01 -0.538278D+01  0.129620D+02 -0.204851D+02  0.419100D+01
      2  -0.761610D+01 -0.567050D+00 -0.800846D+01  0.221605D+02 -0.287576D+00
      3  -0.219473D+01  0.594983D+01 -0.495356D+01 -0.167537D+01 -0.390342D+01
      4  -0.642397D+01  0.164807D+01  0.360687D+01  0.331409D+02 -0.719636D+01
      5  -0.765444D+00 -0.533561D+01 -0.864781D+01 -0.308217D+01  0.917935D+01
      6   0.596539D+01 -0.277119D+01  0.482238D+00 -0.215613D+02  0.862545D+01
               241           242           243           244           245 
      1   0.735598D+00  0.212185D+01 -0.753891D+01  0.116880D+03  0.107538D+02
      2  -0.208156D+01 -0.880312D+00  0.291132D+01 -0.679385D+02 -0.532895D+01
      3   0.134596D+01 -0.124154D+01  0.462760D+01 -0.489416D+02 -0.542485D+01
      4   0.148051D+01 -0.130681D+01  0.122110D+01  0.254430D+02  0.150729D+02
      5  -0.296196D+01  0.122270D+01  0.150701D+01 -0.665996D+02 -0.806088D+01
      6  -0.108709D+01  0.480639D+01 -0.870063D+00 -0.630601D+01 -0.527316D+01
               246           247           248           249           250 
      1  -0.228793D+02  0.825123D+01  0.765012D+01 -0.262984D+01 -0.785931D+01
      2   0.197219D+02 -0.375126D+01 -0.292346D+01  0.310487D+00  0.922959D+01
      3   0.315738D+01 -0.449998D+01 -0.472667D+01  0.231936D+01 -0.137028D+01
      4  -0.679333D+01  0.159961D+02  0.674384D+01 -0.453214D+01 -0.191161D+01
      5   0.312377D+02 -0.504134D+01 -0.611997D+01  0.130037D+00  0.203051D+02
      6   0.386733D+01 -0.503376D+01 -0.287065D+01  0.300981D+01  0.252032D+01
               251           252           253           254           255 
      1  -0.164485D+01  0.838804D+01  0.724571D+02 -0.225253D+02  0.322423D+02
      2   0.242207D+00 -0.954499D+01 -0.470938D+02  0.129342D+02 -0.242388D+02
      3   0.140264D+01  0.115695D+01 -0.253633D+02  0.959105D+01 -0.800357D+01
      4  -0.191373D+01  0.465911D+00 -0.262484D+02  0.208131D+02 -0.838123D+01
      5   0.104484D+01 -0.119406D+02  0.548319D+02 -0.123979D+02  0.381377D+02
      6   0.179590D+01 -0.318536D+00 -0.773145D+01  0.705957D+01 -0.424278D+01
               256           257           258           259           260 
      1  -0.376275D+02  0.117803D+02 -0.787975D+01  0.435893D+02 -0.562713D+01
      2   0.267264D+02 -0.715314D+01  0.139254D+02 -0.393241D+02  0.106968D+02
      3   0.109011D+02 -0.462711D+01 -0.604567D+01 -0.426520D+01 -0.506964D+01
      4   0.246539D+02 -0.348228D+02  0.218860D+02 -0.149246D+02  0.271939D+02
      5  -0.290848D+02  0.222636D+02 -0.330754D+02  0.642588D+02 -0.251438D+02
      6   0.953957D+01 -0.138620D+02  0.135168D+02 -0.530399D+01  0.156661D+02
               261           262           263           264           265 
      1   0.131593D+02  0.309929D+01  0.137434D+02  0.221401D+01  0.119650D+02
      2  -0.392634D+02  0.174454D+01 -0.649600D+01 -0.826737D+00 -0.185273D+01
      3   0.261041D+02 -0.484383D+01 -0.724742D+01 -0.138727D+01 -0.101122D+02
      4  -0.242944D+02  0.608034D+01  0.523188D+00 -0.986444D+01  0.126136D+02
      5   0.725889D+02 -0.495213D+01 -0.581928D+01 -0.890596D+01 -0.738326D+01
      6  -0.128383D+02 -0.997996D+00 -0.514290D+01 -0.773227D+01 -0.458269D+01
               266           267           268           269           270 
      1  -0.103268D+02 -0.481156D+01 -0.356972D+01 -0.414517D+01 -0.633961D+01
      2   0.281463D+02  0.418693D+01  0.164929D+01  0.855272D+00  0.582795D+01
      3  -0.178195D+02  0.624625D+00  0.192043D+01  0.328990D+01  0.511658D+00
      4   0.322012D+02 -0.100570D+02 -0.182980D+02 -0.210951D+02 -0.168602D+02
      5  -0.994527D+01 -0.103600D+02 -0.161860D+02 -0.151393D+02 -0.354534D+02
      6   0.455932D+01  0.789276D-02 -0.115223D+02 -0.603456D+01 -0.166414D+02
               271           272           273           274           275 
      1   0.956099D+01  0.698950D+01  0.764475D+01  0.365664D+01 -0.242100D+01
      2  -0.482763D+01 -0.312278D+01 -0.472988D+01  0.458181D+00  0.556427D+01
      3  -0.473335D+01 -0.386671D+01 -0.291487D+01 -0.411482D+01 -0.314327D+01
      4   0.170754D+02  0.148752D+02  0.128959D+02  0.131045D+02  0.214726D+02
      5   0.152883D+02  0.114742D+02  0.160004D+02  0.859714D+01  0.120990D+02
      6   0.854992D+01  0.633749D+01  0.725842D+01  0.622803D+01  0.113763D+02
               276           277           278           279 
      1  -0.146151D+01  0.705065D+01 -0.173276D+01 -0.198173D+01
      2   0.244273D+01 -0.637990D+01  0.270888D-01 -0.654656D+01
      3  -0.981225D+00 -0.670750D+00  0.170567D+01  0.852829D+01
      4   0.130464D+02  0.216185D+02  0.281709D+02  0.291689D+02
      5   0.134004D+02  0.267640D+02  0.264825D+02  0.420124D+02
      6   0.996735D+01  0.138657D+02  0.187326D+02  0.237952D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.785317D+00      0.199608D+01      0.665820D+01
   y         -0.909047D+00     -0.231057D+01     -0.770722D+01
   z          0.460015D+00      0.116924D+01      0.390017D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.270360D+03      0.400631D+02      0.445763D+02
   yx        -0.156600D+02     -0.232057D+01     -0.258198D+01
   yy         0.167803D+03      0.248658D+02      0.276669D+02
   zx        -0.741308D+01     -0.109851D+01     -0.122225D+01
   zy        -0.446929D+01     -0.662280D+00     -0.736886D+00
   zz         0.113059D+03      0.167537D+02      0.186410D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200546D+03      0.297178D+02      0.330656D+02
   aniso      0.155856D+03      0.230954D+02      0.256971D+02
   xx         0.295214D+03      0.437462D+02      0.486742D+02
   yx        -0.197878D+02     -0.293225D+01     -0.326257D+01
   yy         0.183114D+03      0.271346D+02      0.301914D+02
   zx        -0.803231D+01     -0.119027D+01     -0.132435D+01
   zy        -0.502830D+01     -0.745117D+00     -0.829055D+00
   zz         0.123310D+03      0.182727D+02      0.203311D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75335576          1.98501129          3.69511908
     6          3.07281354          0.36052557          4.99247124
     6          4.23262703          2.71515831          1.25347388
     6          2.03700288          1.86505548          0.01517188
     6          0.33123038          0.22805073          1.31453043
     6          0.92371581         -0.48457216          3.81547876
     6          1.44118965          2.56875924         -2.49775421
     6         -0.71048013          1.70551346         -3.64224433
     6         -2.41986490          0.09442741         -2.36014214
     6         -1.87475247         -0.62281730          0.07274424
     6         -4.78465625         -0.80857364         -3.72124387
     8          6.92114707          2.90218532          4.73587398
     6          7.54762394          2.20076193          7.24295826
     1          3.46617440         -0.22304493          6.90735264
     1          5.54144705          3.95678366          0.29000863
     1         -0.35667870         -1.72777059          4.81811904
     1          2.72076872          3.80502658         -3.50908439
     1         -1.12765291          2.25557151         -5.56883230
     1         -3.13045948         -1.88293688          1.08285368
     1         -4.89233576          0.19394207         -5.51621761
     6         -7.21859209         -0.33599156         -2.22564878
     6         -4.45852275         -3.56168229         -4.46035206
     1          9.32653135          3.13960482          7.66225343
     1          7.79904654          0.15657394          7.41879616
     1          6.11147011          2.83171837          8.58919149
     1         -7.41593426          1.68082531         -1.85505838
     1         -7.20189090         -1.32842694         -0.42475833
     1         -8.86788853         -0.97029143         -3.28856086
     8         -3.82441436         -4.29400289         -6.51688590
     8         -4.92369910         -5.16892291         -2.52216892
     1         -4.59302439         -6.85939875         -3.14800340

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128635D+01      0.326958D+01      0.109061D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.202455D+03      0.300008D+02      0.333804D+02
   yx         0.368575D+02      0.546172D+01      0.607698D+01
   yy         0.137206D+03      0.203318D+02      0.226222D+02
   zx         0.607678D+02      0.900485D+01      0.100193D+02
   zy         0.716465D+00      0.106169D+00      0.118129D+00
   zz         0.211560D+03      0.313500D+02      0.348815D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200546D+03      0.297178D+02      0.330656D+02
   aniso      0.155856D+03      0.230954D+02      0.256971D+02
   xx         0.219765D+03      0.325658D+02      0.362344D+02
   yx         0.388237D+02      0.575308D+01      0.640117D+01
   yy         0.148518D+03      0.220081D+02      0.244873D+02
   zx         0.671801D+02      0.995507D+01      0.110765D+02
   zy         0.438422D+00      0.649674D-01      0.722860D-01
   zz         0.233355D+03      0.345796D+02      0.384750D+02

 ----------------------------------------------------------------------
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 ,0.00000036,0.,-0.00000066,0.00000062,-0.00000007,0.00000009,-0.000000
 17,0.00000003,-0.00000006,-0.00000002,-0.00000072,0.00000029,-0.000000
 07,-0.00000039,0.00000052,-0.00000067,-0.00000051,0.,-0.00000082,0.000
 00020,0.00000030,0.00000051\\\@


 WHEN HAVING A MEETING OF THE MINDS,
 MAKE SURE YOU HAVE THE EQUIPMENT FOR IT.
 Job cpu time:       0 days 21 hours 57 minutes 17.7 seconds.
 Elapsed time:       0 days  2 hours 45 minutes  4.7 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Sep 23 15:48:32 2021.
